(2S,3R)-3-phenoxy-2-phenylpiperidine

C17H19NO — CID 97356138

IUPAC(2S,3R)-3-phenoxy-2-phenylpiperidine
SMILESc1ccc(O[C@@H]2CCCN[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-3-8-14(9-4-1)17-16(12-7-13-18-17)19-15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-,17+/m1/s1
InChIKeyNMSLARHWBMBDOA-SJORKVTESA-N
MW253.35 g/mol
LogP3.56
Rot. Bonds3

About (2S,3R)-3-phenoxy-2-phenylpiperidine

(2S,3R)-3-phenoxy-2-phenylpiperidine (PubChem CID 97356138) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S,3R)-3-phenoxy-2-phenylpiperidine.

Molecular Properties

Compound Name(2S,3R)-3-phenoxy-2-phenylpiperidine
PubChem CID97356138
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(2S,3R)-3-phenoxy-2-phenylpiperidine
SMILESc1ccc(O[C@@H]2CCCN[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-3-8-14(9-4-1)17-16(12-7-13-18-17)19-15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-,17+/m1/s1
InChIKeyNMSLARHWBMBDOA-SJORKVTESA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-phenoxy-2-phenylpiperidine?
The IUPAC name of (2S,3R)-3-phenoxy-2-phenylpiperidine (CID 97356138) is (2S,3R)-3-phenoxy-2-phenylpiperidine.
What is the SMILES notation for (2S,3R)-3-phenoxy-2-phenylpiperidine?
The canonical SMILES for (2S,3R)-3-phenoxy-2-phenylpiperidine is c1ccc(O[C@@H]2CCCN[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-3-phenoxy-2-phenylpiperidine?
The InChIKey is NMSLARHWBMBDOA-SJORKVTESA-N. The full InChI is InChI=1S/C17H19NO/c1-3-8-14(9-4-1)17-16(12-7-13-18-17)19-15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-3-phenoxy-2-phenylpiperidine?
(2S,3R)-3-phenoxy-2-phenylpiperidine has a molecular weight of 253.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-phenoxy-2-phenylpiperidine is sourced from PubChem (CID 97356138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).