1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

C30H29ClF5NO — CID 3045888

IUPAC1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C30H29ClF5NO/c31-27-10-5-22(19-26(27)30(34,35)36)29(38)15-17-37(18-16-29)25-11-13-28(14-12-25,20-1-6-23(32)7-2-20)21-3-8-24(33)9-4-21/h1-10,19,25,38H,11-18H2
InChIKeyBOKHTYGRLSMZRN-UHFFFAOYSA-N
MW550.01 g/mol
LogP7.85
Rot. Bonds4

About 1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 3045888) has the molecular formula C30H29ClF5NO and a molecular weight of 550.01 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID3045888
Molecular FormulaC30H29ClF5NO
Molecular Weight550.01 g/mol
Exact Mass549.19
IUPAC Name1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C30H29ClF5NO/c31-27-10-5-22(19-26(27)30(34,35)36)29(38)15-17-37(18-16-29)25-11-13-28(14-12-25,20-1-6-23(32)7-2-20)21-3-8-24(33)9-4-21/h1-10,19,25,38H,11-18H2
InChIKeyBOKHTYGRLSMZRN-UHFFFAOYSA-N
XLogP7.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.01
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol with MolForge

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Related Compounds

4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol
CID 11716504
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 19261885
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(4-fluorophenyl)-4-hydroxybut-2-ynyl]piperidin-4-ol
CID 21449416
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 56610074
acetic acid;1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 131885739
3-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]propanenitrile
CID 164667372
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 4991432
2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
CID 54130706
1-[1-(6-chloro-1H-indol-3-yl)ethenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 70639813
N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23072101
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-ol;hydrochloride
CID 13207832
4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 107287038

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 3045888) is 1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is BOKHTYGRLSMZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClF5NO/c31-27-10-5-22(19-26(27)30(34,35)36)29(38)15-17-37(18-16-29)25-11-13-28(14-12-25,20-1-6-23(32)7-2-20)21-3-8-24(33)9-4-21/h1-10,19,25,38H,11-18H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 550.01 g/mol, XLogP of 7.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 3045888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).