(3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine

C25H27NO — CID 91340950

IUPAC(3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine
SMILESCN1CCC(c2ccccc2)[C@H](COc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C25H27NO/c1-26-17-16-23(20-10-4-2-5-11-20)22(18-26)19-27-25-15-9-8-14-24(25)21-12-6-3-7-13-21/h2-15,22-23H,16-19H2,1H3/t22-,23?/m0/s1
InChIKeyVKOVCQOQYCQBTI-NQCNTLBGSA-N
MW357.50 g/mol
LogP5.47
Rot. Bonds5

About (3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine

(3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine (PubChem CID 91340950) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is (3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine
PubChem CID91340950
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name(3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine
SMILESCN1CCC(c2ccccc2)[C@H](COc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C25H27NO/c1-26-17-16-23(20-10-4-2-5-11-20)22(18-26)19-27-25-15-9-8-14-24(25)21-12-6-3-7-13-21/h2-15,22-23H,16-19H2,1H3/t22-,23?/m0/s1
InChIKeyVKOVCQOQYCQBTI-NQCNTLBGSA-N
XLogP5.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine?
The IUPAC name of (3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine (CID 91340950) is (3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine.
What is the SMILES notation for (3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine?
The canonical SMILES for (3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine is CN1CCC(c2ccccc2)[C@H](COc2ccccc2-c2ccccc2)C1.
What is the InChIKey of (3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine?
The InChIKey is VKOVCQOQYCQBTI-NQCNTLBGSA-N. The full InChI is InChI=1S/C25H27NO/c1-26-17-16-23(20-10-4-2-5-11-20)22(18-26)19-27-25-15-9-8-14-24(25)21-12-6-3-7-13-21/h2-15,22-23H,16-19H2,1H3/t22-,23?/m0/s1.
What are the key properties of (3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine?
(3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine has a molecular weight of 357.50 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine is sourced from PubChem (CID 91340950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).