1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone
C121H125ClN6O5 — CID 91484579
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=C2CCN(C)CC2)c2ccccc2)cc1.CC(=O)c1ccc(C(=C2CCN(Cc3ccc(C)cc3)CC2)c2ccccc2)cc1.CC(=O)c1ccc(C(=C2CCN(Cc3ccc(C)cc3Cl)CC2)c2ccccc2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2cccc(C)c2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2cccc3cccnc23)cc1
InChIInChI=1S/C28H28ClNO.C28H29NO.C23H22N2O.2C21H23NO/c1-20-8-9-26(27(29)18-20)19-30-16-14-25(15-17-30)28(23-6-4-3-5-7-23)24-12-10-22(11-13-24)21(2)31;1-21-8-10-23(11-9-21)20-29-18-16-27(17-19-29)28(25-6-4-3-5-7-25)26-14-12-24(13-15-26)22(2)30;1-16(26)17-7-9-18(10-8-17)22(19-11-14-24-15-12-19)21-6-2-4-20-5-3-13-25-23(20)21;1-15-4-3-5-20(14-15)21(19-10-12-22-13-11-19)18-8-6-17(7-9-18)16(2)23;1-16(23)17-8-10-19(11-9-17)21(18-6-4-3-5-7-18)20-12-14-22(2)15-13-20/h3-13,18H,14-17,19H2,1-2H3;3-15H,16-20H2,1-2H3;2-10,13,24H,11-12,14-15H2,1H3;3-9,14,22H,10-13H2,1-2H3;3-11H,12-15H2,1-2H3
InChIKeyNLZHVNHTMTUPDU-UHFFFAOYSA-N
MW1778.82 g/mol
LogP26.67
Rot. Bonds19
About 1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone
1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone (PubChem CID 91484579) has the molecular formula C121H125ClN6O5 and a molecular weight of 1778.82 g/mol. Its IUPAC name is 1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone.
Molecular Properties
| Compound Name | 1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone |
|---|---|
| PubChem CID | 91484579 |
| Molecular Formula | C121H125ClN6O5 |
| Molecular Weight | 1778.82 g/mol |
| Exact Mass | 1776.94 |
| IUPAC Name | 1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone |
| SMILES | CC(=O)c1ccc(C(=C2CCN(C)CC2)c2ccccc2)cc1.CC(=O)c1ccc(C(=C2CCN(Cc3ccc(C)cc3)CC2)c2ccccc2)cc1.CC(=O)c1ccc(C(=C2CCN(Cc3ccc(C)cc3Cl)CC2)c2ccccc2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2cccc(C)c2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2cccc3cccnc23)cc1 |
| InChI | InChI=1S/C28H28ClNO.C28H29NO.C23H22N2O.2C21H23NO/c1-20-8-9-26(27(29)18-20)19-30-16-14-25(15-17-30)28(23-6-4-3-5-7-23)24-12-10-22(11-13-24)21(2)31;1-21-8-10-23(11-9-21)20-29-18-16-27(17-19-29)28(25-6-4-3-5-7-25)26-14-12-24(13-15-26)22(2)30;1-16(26)17-7-9-18(10-8-17)22(19-11-14-24-15-12-19)21-6-2-4-20-5-3-13-25-23(20)21;1-15-4-3-5-20(14-15)21(19-10-12-22-13-11-19)18-8-6-17(7-9-18)16(2)23;1-16(23)17-8-10-19(11-9-17)21(18-6-4-3-5-7-18)20-12-14-22(2)15-13-20/h3-13,18H,14-17,19H2,1-2H3;3-15H,16-20H2,1-2H3;2-10,13,24H,11-12,14-15H2,1H3;3-9,14,22H,10-13H2,1-2H3;3-11H,12-15H2,1-2H3 |
| InChIKey | NLZHVNHTMTUPDU-UHFFFAOYSA-N |
| XLogP | 26.67 |
| TPSA | 132.02 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 133 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1778.82 |
| LogP ≤ 5 | 26.67 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
Frequently Asked Questions
What is the IUPAC name of 1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone (CID 91484579) is 1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone is CC(=O)c1ccc(C(=C2CCN(C)CC2)c2ccccc2)cc1.CC(=O)c1ccc(C(=C2CCN(Cc3ccc(C)cc3)CC2)c2ccccc2)cc1.CC(=O)c1ccc(C(=C2CCN(Cc3ccc(C)cc3Cl)CC2)c2ccccc2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2cccc(C)c2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2cccc3cccnc23)cc1.
What is the InChIKey of 1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone?
The InChIKey is NLZHVNHTMTUPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClNO.C28H29NO.C23H22N2O.2C21H23NO/c1-20-8-9-26(27(29)18-20)19-30-16-14-25(15-17-30)28(23-6-4-3-5-7-23)24-12-10-22(11-13-24)21(2)31;1-21-8-10-23(11-9-21)20-29-18-16-27(17-19-29)28(25-6-4-3-5-7-25)26-14-12-24(13-15-26)22(2)30;1-16(26)17-7-9-18(10-8-17)22(19-11-14-24-15-12-19)21-6-2-4-20-5-3-13-25-23(20)21;1-15-4-3-5-20(14-15)21(19-10-12-22-13-11-19)18-8-6-17(7-9-18)16(2)23;1-16(23)17-8-10-19(11-9-17)21(18-6-4-3-5-7-18)20-12-14-22(2)15-13-20/h3-13,18H,14-17,19H2,1-2H3;3-15H,16-20H2,1-2H3;2-10,13,24H,11-12,14-15H2,1H3;3-9,14,22H,10-13H2,1-2H3;3-11H,12-15H2,1-2H3.
What are the key properties of 1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone?
1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone has a molecular weight of 1778.82 g/mol, XLogP of 26.67, 19 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone;1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone;1-[4-[(1-methylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone;1-[4-[piperidin-4-ylidene(quinolin-8-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 91484579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 91484579 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.