(3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine

C20H25NO2 — CID 6101913

IUPAC(3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine
SMILESCOc1ccc(OC[C@@H]2CN(C)CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-21-13-12-20(16-6-4-3-5-7-16)17(14-21)15-23-19-10-8-18(22-2)9-11-19/h3-11,17,20H,12-15H2,1-2H3/t17-,20-/m0/s1
InChIKeyOJSFTALXCYKKFQ-PXNSSMCTSA-N
MW311.43 g/mol
LogP3.81
Rot. Bonds5

About (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine

(3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine (PubChem CID 6101913) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine.

Molecular Properties

Compound Name(3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine
PubChem CID6101913
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine
SMILESCOc1ccc(OC[C@@H]2CN(C)CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-21-13-12-20(16-6-4-3-5-7-16)17(14-21)15-23-19-10-8-18(22-2)9-11-19/h3-11,17,20H,12-15H2,1-2H3/t17-,20-/m0/s1
InChIKeyOJSFTALXCYKKFQ-PXNSSMCTSA-N
XLogP3.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine?
The IUPAC name of (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine (CID 6101913) is (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine.
What is the SMILES notation for (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine?
The canonical SMILES for (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine is COc1ccc(OC[C@@H]2CN(C)CC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine?
The InChIKey is OJSFTALXCYKKFQ-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H25NO2/c1-21-13-12-20(16-6-4-3-5-7-16)17(14-21)15-23-19-10-8-18(22-2)9-11-19/h3-11,17,20H,12-15H2,1-2H3/t17-,20-/m0/s1.
What are the key properties of (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine?
(3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine has a molecular weight of 311.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine is sourced from PubChem (CID 6101913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).