1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone

C26H32ClNO2 — CID 163426388

IUPAC1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone
SMILESCOc1ccc(-c2ccc(C(C)=O)c(Cl)c2)cc1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H32ClNO2/c1-18(29)23-10-8-21(17-25(23)27)20-9-11-26(30-2)24(16-20)19-12-14-28(15-13-19)22-6-4-3-5-7-22/h8-11,16-17,19,22H,3-7,12-15H2,1-2H3
InChIKeyAMWQUPLTRXMSLO-UHFFFAOYSA-N
MW426.00 g/mol
LogP6.73
Rot. Bonds5

About 1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone

1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone (PubChem CID 163426388) has the molecular formula C26H32ClNO2 and a molecular weight of 426.00 g/mol. Its IUPAC name is 1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone
PubChem CID163426388
Molecular FormulaC26H32ClNO2
Molecular Weight426.00 g/mol
Exact Mass425.21
IUPAC Name1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone
SMILESCOc1ccc(-c2ccc(C(C)=O)c(Cl)c2)cc1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H32ClNO2/c1-18(29)23-10-8-21(17-25(23)27)20-9-11-26(30-2)24(16-20)19-12-14-28(15-13-19)22-6-4-3-5-7-22/h8-11,16-17,19,22H,3-7,12-15H2,1-2H3
InChIKeyAMWQUPLTRXMSLO-UHFFFAOYSA-N
XLogP6.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.00
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide
CID 10255319
1-[2-chloro-4-(2,5-dichloro-4-methoxyphenyl)phenyl]ethanone
CID 82778971
1-(3-cyclopentyl-4-methoxyphenyl)ethanone
CID 84683848
ethane;4-[2-methoxy-5-(4-methylsulfanylphenyl)phenyl]-1-(oxan-4-yl)piperidine
CID 143235233
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
1-(2-chloro-4-cyclohexylphenyl)ethanone
CID 56998261
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
[4-[3-[1-(3-bicyclo[3.2.1]octanyl)piperidin-4-yl]-4-methoxyphenyl]phenyl]methanamine
CID 70798126
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561
1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane
CID 143500480
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorophenyl]ethanone
CID 79938459

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone?
The IUPAC name of 1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone (CID 163426388) is 1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone is COc1ccc(-c2ccc(C(C)=O)c(Cl)c2)cc1C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone?
The InChIKey is AMWQUPLTRXMSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClNO2/c1-18(29)23-10-8-21(17-25(23)27)20-9-11-26(30-2)24(16-20)19-12-14-28(15-13-19)22-6-4-3-5-7-22/h8-11,16-17,19,22H,3-7,12-15H2,1-2H3.
What are the key properties of 1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone?
1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone has a molecular weight of 426.00 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone is sourced from PubChem (CID 163426388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).