1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C27H28F3NO — CID 11743914

IUPAC1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H28F3NO/c28-27(29,30)24-13-7-12-23(20-24)26(32)15-18-31(19-16-26)17-14-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25,32H,14-19H2
InChIKeyPDFCYCFNUWUGGU-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.21
Rot. Bonds6

About 1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 11743914) has the molecular formula C27H28F3NO and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID11743914
Molecular FormulaC27H28F3NO
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H28F3NO/c28-27(29,30)24-13-7-12-23(20-24)26(32)15-18-31(19-16-26)17-14-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25,32H,14-19H2
InChIKeyPDFCYCFNUWUGGU-UHFFFAOYSA-N
XLogP6.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]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 1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 11743914) is 1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2cccc(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is PDFCYCFNUWUGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3NO/c28-27(29,30)24-13-7-12-23(20-24)26(32)15-18-31(19-16-26)17-14-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25,32H,14-19H2.
What are the key properties of 1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 439.52 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 11743914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).