4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol

C26H27ClFNO2 — CID 46231271

IUPAC4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCOC(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H27ClFNO2/c27-23-10-8-22(9-11-23)26(30)14-16-29(17-15-26)18-19-31-25(20-4-2-1-3-5-20)21-6-12-24(28)13-7-21/h1-13,25,30H,14-19H2
InChIKeyWZEIKAWGDAAIIE-UHFFFAOYSA-N
MW439.96 g/mol
LogP5.57
Rot. Bonds7

About 4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol (PubChem CID 46231271) has the molecular formula C26H27ClFNO2 and a molecular weight of 439.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol
PubChem CID46231271
Molecular FormulaC26H27ClFNO2
Molecular Weight439.96 g/mol
Exact Mass439.17
IUPAC Name4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCOC(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H27ClFNO2/c27-23-10-8-22(9-11-23)26(30)14-16-29(17-15-26)18-19-31-25(20-4-2-1-3-5-20)21-6-12-24(28)13-7-21/h1-13,25,30H,14-19H2
InChIKeyWZEIKAWGDAAIIE-UHFFFAOYSA-N
XLogP5.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.96
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]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-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol (CID 46231271) is 4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCOC(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol?
The InChIKey is WZEIKAWGDAAIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFNO2/c27-23-10-8-22(9-11-23)26(30)14-16-29(17-15-26)18-19-31-25(20-4-2-1-3-5-20)21-6-12-24(28)13-7-21/h1-13,25,30H,14-19H2.
What are the key properties of 4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol has a molecular weight of 439.96 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidin-4-ol is sourced from PubChem (CID 46231271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).