(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine

C18H21NO — CID 131844495

IUPAC(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine
SMILESc1ccc(OC[C@@H]2CNCC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-3-7-15(8-4-1)18-11-12-19-13-16(18)14-20-17-9-5-2-6-10-17/h1-10,16,18-19H,11-14H2/t16-,18-/m0/s1
InChIKeyHAEHUAWZNMSJQJ-WMZOPIPTSA-N
MW267.37 g/mol
LogP3.46
Rot. Bonds4

About (3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine

(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine (PubChem CID 131844495) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine.

Molecular Properties

Compound Name(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine
PubChem CID131844495
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine
SMILESc1ccc(OC[C@@H]2CNCC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-3-7-15(8-4-1)18-11-12-19-13-16(18)14-20-17-9-5-2-6-10-17/h1-10,16,18-19H,11-14H2/t16-,18-/m0/s1
InChIKeyHAEHUAWZNMSJQJ-WMZOPIPTSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine?
The IUPAC name of (3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine (CID 131844495) is (3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine.
What is the SMILES notation for (3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine?
The canonical SMILES for (3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine is c1ccc(OC[C@@H]2CNCC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine?
The InChIKey is HAEHUAWZNMSJQJ-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-7-15(8-4-1)18-11-12-19-13-16(18)14-20-17-9-5-2-6-10-17/h1-10,16,18-19H,11-14H2/t16-,18-/m0/s1.
What are the key properties of (3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine?
(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine has a molecular weight of 267.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine is sourced from PubChem (CID 131844495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).