4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol

C27H29ClFNO — CID 46231273

IUPAC4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H29ClFNO/c28-24-12-10-23(11-13-24)27(31)16-19-30(20-17-27)18-4-7-26(21-5-2-1-3-6-21)22-8-14-25(29)15-9-22/h1-3,5-6,8-15,26,31H,4,7,16-20H2
InChIKeyWPYRUELVLZTLOD-UHFFFAOYSA-N
MW437.99 g/mol
LogP6.37
Rot. Bonds7

About 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol (PubChem CID 46231273) has the molecular formula C27H29ClFNO and a molecular weight of 437.99 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol
PubChem CID46231273
Molecular FormulaC27H29ClFNO
Molecular Weight437.99 g/mol
Exact Mass437.19
IUPAC Name4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H29ClFNO/c28-24-12-10-23(11-13-24)27(31)16-19-30(20-17-27)18-4-7-26(21-5-2-1-3-6-21)22-8-14-25(29)15-9-22/h1-3,5-6,8-15,26,31H,4,7,16-20H2
InChIKeyWPYRUELVLZTLOD-UHFFFAOYSA-N
XLogP6.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.99
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol (CID 46231273) is 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol?
The InChIKey is WPYRUELVLZTLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClFNO/c28-24-12-10-23(11-13-24)27(31)16-19-30(20-17-27)18-4-7-26(21-5-2-1-3-6-21)22-8-14-25(29)15-9-22/h1-3,5-6,8-15,26,31H,4,7,16-20H2.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol has a molecular weight of 437.99 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol is sourced from PubChem (CID 46231273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).