4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine

C25H24F3NO — CID 97356612

IUPAC4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1cccc([C@@H](c2ccccc2)N2CCC(Oc3ccccc3)CC2)c1
InChIInChI=1S/C25H24F3NO/c26-25(27,28)21-11-7-10-20(18-21)24(19-8-3-1-4-9-19)29-16-14-23(15-17-29)30-22-12-5-2-6-13-22/h1-13,18,23-24H,14-17H2/t24-/m1/s1
InChIKeyZYIUEDKQQGSDGP-XMMPIXPASA-N
MW411.47 g/mol
LogP6.34
Rot. Bonds5

About 4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine

4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 97356612) has the molecular formula C25H24F3NO and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID97356612
Molecular FormulaC25H24F3NO
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1cccc([C@@H](c2ccccc2)N2CCC(Oc3ccccc3)CC2)c1
InChIInChI=1S/C25H24F3NO/c26-25(27,28)21-11-7-10-20(18-21)24(19-8-3-1-4-9-19)29-16-14-23(15-17-29)30-22-12-5-2-6-13-22/h1-13,18,23-24H,14-17H2/t24-/m1/s1
InChIKeyZYIUEDKQQGSDGP-XMMPIXPASA-N
XLogP6.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine (CID 97356612) is 4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1cccc([C@@H](c2ccccc2)N2CCC(Oc3ccccc3)CC2)c1.
What is the InChIKey of 4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is ZYIUEDKQQGSDGP-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24F3NO/c26-25(27,28)21-11-7-10-20(18-21)24(19-8-3-1-4-9-19)29-16-14-23(15-17-29)30-22-12-5-2-6-13-22/h1-13,18,23-24H,14-17H2/t24-/m1/s1.
What are the key properties of 4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine?
4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 411.47 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 97356612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).