3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol

C25H25Cl2NO — CID 123601606

IUPAC3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCc2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C25H25Cl2NO/c26-22-10-6-20(7-11-22)24-18-28(16-14-19-4-2-1-3-5-19)17-15-25(24,29)21-8-12-23(27)13-9-21/h1-13,24,29H,14-18H2
InChIKeyOFZWSKVPQOEKLE-UHFFFAOYSA-N
MW426.39 g/mol
LogP5.91
Rot. Bonds5

About 3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol

3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol (PubChem CID 123601606) has the molecular formula C25H25Cl2NO and a molecular weight of 426.39 g/mol. Its IUPAC name is 3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol.

Molecular Properties

Compound Name3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol
PubChem CID123601606
Molecular FormulaC25H25Cl2NO
Molecular Weight426.39 g/mol
Exact Mass425.13
IUPAC Name3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCc2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C25H25Cl2NO/c26-22-10-6-20(7-11-22)24-18-28(16-14-19-4-2-1-3-5-19)17-15-25(24,29)21-8-12-23(27)13-9-21/h1-13,24,29H,14-18H2
InChIKeyOFZWSKVPQOEKLE-UHFFFAOYSA-N
XLogP5.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.39
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol?
The IUPAC name of 3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol (CID 123601606) is 3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol.
What is the SMILES notation for 3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol?
The canonical SMILES for 3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCc2ccccc2)CC1c1ccc(Cl)cc1.
What is the InChIKey of 3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol?
The InChIKey is OFZWSKVPQOEKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2NO/c26-22-10-6-20(7-11-22)24-18-28(16-14-19-4-2-1-3-5-19)17-15-25(24,29)21-8-12-23(27)13-9-21/h1-13,24,29H,14-18H2.
What are the key properties of 3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol?
3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol has a molecular weight of 426.39 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-ol is sourced from PubChem (CID 123601606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).