(3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride

C19H24ClNO2 — CID 12788440

IUPAC(3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride
SMILESCOc1ccc(O[C@@H]2CCN(C)C[C@H]2c2ccccc2)cc1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-20-13-12-19(18(14-20)15-6-4-3-5-7-15)22-17-10-8-16(21-2)9-11-17;/h3-11,18-19H,12-14H2,1-2H3;1H/t18-,19+;/m0./s1
InChIKeyPFBFKAKLDXBUFO-GRTNUQQKSA-N
MW333.86 g/mol
LogP3.98
Rot. Bonds4

About (3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride

(3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride (PubChem CID 12788440) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is (3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride
PubChem CID12788440
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name(3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride
SMILESCOc1ccc(O[C@@H]2CCN(C)C[C@H]2c2ccccc2)cc1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-20-13-12-19(18(14-20)15-6-4-3-5-7-15)22-17-10-8-16(21-2)9-11-17;/h3-11,18-19H,12-14H2,1-2H3;1H/t18-,19+;/m0./s1
InChIKeyPFBFKAKLDXBUFO-GRTNUQQKSA-N
XLogP3.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride?
The IUPAC name of (3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride (CID 12788440) is (3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride.
What is the SMILES notation for (3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride?
The canonical SMILES for (3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride is COc1ccc(O[C@@H]2CCN(C)C[C@H]2c2ccccc2)cc1.Cl.
What is the InChIKey of (3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride?
The InChIKey is PFBFKAKLDXBUFO-GRTNUQQKSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c1-20-13-12-19(18(14-20)15-6-4-3-5-7-15)22-17-10-8-16(21-2)9-11-17;/h3-11,18-19H,12-14H2,1-2H3;1H/t18-,19+;/m0./s1.
What are the key properties of (3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride?
(3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-methoxyphenoxy)-1-methyl-3-phenylpiperidine;hydrochloride is sourced from PubChem (CID 12788440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).