1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol

C26H25ClF3NO — CID 139798377

IUPAC1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2ccccc2C(F)(F)F)CCN(CCc2ccc(-c3ccccc3)cc2Cl)CC1
InChIInChI=1S/C26H25ClF3NO/c27-24-18-21(19-6-2-1-3-7-19)11-10-20(24)12-15-31-16-13-25(32,14-17-31)22-8-4-5-9-23(22)26(28,29)30/h1-11,18,32H,12-17H2
InChIKeyHSQCUBFYNFSCSF-UHFFFAOYSA-N
MW459.94 g/mol
LogP6.55
Rot. Bonds5

About 1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol

1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 139798377) has the molecular formula C26H25ClF3NO and a molecular weight of 459.94 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID139798377
Molecular FormulaC26H25ClF3NO
Molecular Weight459.94 g/mol
Exact Mass459.16
IUPAC Name1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2ccccc2C(F)(F)F)CCN(CCc2ccc(-c3ccccc3)cc2Cl)CC1
InChIInChI=1S/C26H25ClF3NO/c27-24-18-21(19-6-2-1-3-7-19)11-10-20(24)12-15-31-16-13-25(32,14-17-31)22-8-4-5-9-23(22)26(28,29)30/h1-11,18,32H,12-17H2
InChIKeyHSQCUBFYNFSCSF-UHFFFAOYSA-N
XLogP6.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.94
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol (CID 139798377) is 1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2ccccc2C(F)(F)F)CCN(CCc2ccc(-c3ccccc3)cc2Cl)CC1.
What is the InChIKey of 1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is HSQCUBFYNFSCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3NO/c27-24-18-21(19-6-2-1-3-7-19)11-10-20(24)12-15-31-16-13-25(32,14-17-31)22-8-4-5-9-23(22)26(28,29)30/h1-11,18,32H,12-17H2.
What are the key properties of 1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 459.94 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-phenylphenyl)ethyl]-4-[2-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 139798377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).