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

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 Name1-[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 CID91484579
Molecular FormulaC121H125ClN6O5
Molecular Weight1778.82 g/mol
Exact Mass1776.94
IUPAC Name1-[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
XLogP26.67
TPSA132.02 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001778.82
LogP ≤ 526.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

Quinoline-6-carboxylic acid [1''-(2,5-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399443
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CID 44288976
(2R*,4S*)-2-(4-Chlorobenzyl)-1-(3,5-dimethylbenzoyl)-N-(4-quinolinylmethyl)-4-piperidinamine
CID 44334143
(3-Chlorophenyl)-[4-[[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propylamino]methyl]phenyl]methanone
CID 23628210
4-benzoyl-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 44428950
N-[[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-6-carboxamide
CID 44399354
1-[6-(3-Chloro-5-fluoro-4-methylphenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]quinolin-3-yl]ethanone
CID 68092194
[4-(2-Aminoethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[4-(2-aminoethyl)piperazin-1-yl]-phenylmethanone;2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]ethanamine;2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]ethanamine;methane;2-[4-(quinolin-2-ylmethyl)piperazin-1-yl]ethanamine;2-[4-(quinolin-4-ylmethyl)piperazin-1-yl]ethanamine;2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanamine;2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanamine
CID 157940846
N-[[4-(aminomethyl)phenyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]-N-[(4-ethylphenyl)methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetaldehyde
CID 160108879
2-chloro-4-(3,3-dimethylbut-1-ynyl)-N-quinolin-3-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-2-methyl-N-quinolin-3-ylbenzamide;4-(3,3-dimethylbut-1-ynyl)-2,6-difluoro-N-quinolin-3-ylbenzamide;4-(3,3-dimethylbut-1-ynyl)-2-fluoro-N-quinolin-3-ylbenzamide;4-(3,3-dimethylbut-1-ynyl)-2-methyl-N-quinolin-3-ylbenzamide;2-fluoro-6-methyl-N-quinolin-3-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-3-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 162138200
CID 168321666
CID 168321666
1-(4-Chlorophenyl)-2-[1-(3,5-dimethylbenzoyl)-4-(quinolin-4-ylmethylamino)piperidin-2-yl]ethanone
CID 53681626

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).