(3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine

C19H23NO — CID 3041439

IUPAC(3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine
SMILESCN1CC[C@@H](c2ccccc2)[C@@H](COc2ccccc2)C1
InChIInChI=1S/C19H23NO/c1-20-13-12-19(16-8-4-2-5-9-16)17(14-20)15-21-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3/t17-,19+/m1/s1
InChIKeyUYQDHJMJLPIIFH-MJGOQNOKSA-N
MW281.40 g/mol
LogP3.80
Rot. Bonds4

About (3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine

(3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine (PubChem CID 3041439) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine.

Molecular Properties

Compound Name(3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine
PubChem CID3041439
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine
SMILESCN1CC[C@@H](c2ccccc2)[C@@H](COc2ccccc2)C1
InChIInChI=1S/C19H23NO/c1-20-13-12-19(16-8-4-2-5-9-16)17(14-20)15-21-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3/t17-,19+/m1/s1
InChIKeyUYQDHJMJLPIIFH-MJGOQNOKSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine?
The IUPAC name of (3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine (CID 3041439) is (3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine.
What is the SMILES notation for (3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine?
The canonical SMILES for (3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine is CN1CC[C@@H](c2ccccc2)[C@@H](COc2ccccc2)C1.
What is the InChIKey of (3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine?
The InChIKey is UYQDHJMJLPIIFH-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H23NO/c1-20-13-12-19(16-8-4-2-5-9-16)17(14-20)15-21-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3/t17-,19+/m1/s1.
What are the key properties of (3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine?
(3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine has a molecular weight of 281.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-methyl-3-(phenoxymethyl)-4-phenylpiperidine is sourced from PubChem (CID 3041439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).