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

C30H27ClF5NO — CID 154298389

IUPAC1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2=CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C30H27ClF5NO/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/h1-11,19,38H,12-18H2
InChIKeyRFHUMTNJHLXBJH-UHFFFAOYSA-N
MW548.00 g/mol
LogP7.97
Rot. Bonds4

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

1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 154298389) has the molecular formula C30H27ClF5NO and a molecular weight of 548.00 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID154298389
Molecular FormulaC30H27ClF5NO
Molecular Weight548.00 g/mol
Exact Mass547.17
IUPAC Name1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2=CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C30H27ClF5NO/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/h1-11,19,38H,12-18H2
InChIKeyRFHUMTNJHLXBJH-UHFFFAOYSA-N
XLogP7.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.00
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

Penfluridol
CID 33630
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol
CID 70685046
4-(4-Chloro-phenyl)-1-(3,3-diphenyl-propyl)-piperidin-4-ol
CID 44395410
1-[4,4-Bis[4-(trifluoromethyl)phenyl]butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 52917989
1-[4,4-Bis[3-(trifluoromethyl)phenyl]butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 52918008
1-[4,4-Bis(3-methylphenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 52918009
1-[4,4-Bis(4-methylphenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 53322617
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol
CID 53324045
1-[5,5-Bis(4-fluorophenyl)pentyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 53325242
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)butyl]piperidin-4-ol
CID 57403525
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(3,3-diphenyl-propyl)-piperidin-4-ol
CID 44339374
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-isopropyl-cyclohexyl)-piperidin-4-ol
CID 44339423

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 154298389) is 1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2=CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is RFHUMTNJHLXBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClF5NO/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/h1-11,19,38H,12-18H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[4,4-bis(4-fluorophenyl)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 548.00 g/mol, XLogP of 7.97, 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)cyclohexen-1-yl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 154298389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).