(2Z)-2-benzylidene-6-(piperidin-1-ylmethyl)cyclohexan-1-one
Formula:C19H25NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-benzylidene-6-(piperidin-1-ylmethyl)cyclohexan-1-one is a drug-like molecule.
| MolName | (2Z)-2-benzylidene-6-(piperidin-1-ylmethyl)cyclohexan-1-one |
| MolecularFormula | C19H25NO |
| Smiles | O=C(C(CN1CCCCC1)CCC1)/C1=C\c1ccccc1 |
| InChI | InChI=1S/C19H25NO/c21-19-17(14-16-8-3-1-4-9-16)10-7-11-18(19)15-20-12-5-2-6-13-20/h1,3-4,8-9,14,18H,2,5-7,10-13,15H2/t18-/m1/s1 |
| InChIK | XFSQEKDTPJNBEF-GOSISDBHSA-N |
| TotalMolweight | 283.414 |
| Molweight | 283.414 |
| MonoisotopicMass | 283.193614 |
| CLogP | 3.7866 |
| CLogS | -3.435 |
| H Acceptors | 2 |
| TotalSurfaceArea | 235.36 |
| Relative PSA | 0.070488 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 2.8691 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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