1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine

C32H36F3N — CID 174629363

IUPAC1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine
SMILESCC(C)C[C@@H](C)c1cc(-c2ccccc2)cc(N2CCCCC2C=Cc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C32H36F3N/c1-23(2)20-24(3)29-21-27(26-14-8-5-9-15-26)22-30(31(29)32(33,34)35)36-19-11-10-16-28(36)18-17-25-12-6-4-7-13-25/h4-9,12-15,17-18,21-24,28H,10-11,16,19-20H2,1-3H3/t24-,28?/m1/s1
InChIKeyOTVFSKUMCWJTCR-RIBGEGAISA-N
MW491.64 g/mol
LogP9.59
Rot. Bonds7

About 1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine

1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine (PubChem CID 174629363) has the molecular formula C32H36F3N and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine.

Molecular Properties

Compound Name1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine
PubChem CID174629363
Molecular FormulaC32H36F3N
Molecular Weight491.64 g/mol
Exact Mass491.28
IUPAC Name1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine
SMILESCC(C)C[C@@H](C)c1cc(-c2ccccc2)cc(N2CCCCC2C=Cc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C32H36F3N/c1-23(2)20-24(3)29-21-27(26-14-8-5-9-15-26)22-30(31(29)32(33,34)35)36-19-11-10-16-28(36)18-17-25-12-6-4-7-13-25/h4-9,12-15,17-18,21-24,28H,10-11,16,19-20H2,1-3H3/t24-,28?/m1/s1
InChIKeyOTVFSKUMCWJTCR-RIBGEGAISA-N
XLogP9.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine?
The IUPAC name of 1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine (CID 174629363) is 1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine.
What is the SMILES notation for 1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine?
The canonical SMILES for 1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine is CC(C)C[C@@H](C)c1cc(-c2ccccc2)cc(N2CCCCC2C=Cc2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine?
The InChIKey is OTVFSKUMCWJTCR-RIBGEGAISA-N. The full InChI is InChI=1S/C32H36F3N/c1-23(2)20-24(3)29-21-27(26-14-8-5-9-15-26)22-30(31(29)32(33,34)35)36-19-11-10-16-28(36)18-17-25-12-6-4-7-13-25/h4-9,12-15,17-18,21-24,28H,10-11,16,19-20H2,1-3H3/t24-,28?/m1/s1.
What are the key properties of 1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine?
1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine has a molecular weight of 491.64 g/mol, XLogP of 9.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-4-methylpentan-2-yl]-5-phenyl-2-(trifluoromethyl)phenyl]-2-(2-phenylethenyl)piperidine is sourced from PubChem (CID 174629363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).