(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride

C19H25ClN2O — CID 69059511

IUPAC(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride
SMILESCOc1ccccc1CN[C@H]1CCNC[C@H]1c1ccccc1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-22-19-10-6-5-9-16(19)13-21-18-11-12-20-14-17(18)15-7-3-2-4-8-15;/h2-10,17-18,20-21H,11-14H2,1H3;1H/t17-,18-;/m0./s1
InChIKeyLVJMOVGGMJIEKY-APTPAJQOSA-N
MW332.88 g/mol
LogP3.35
Rot. Bonds5

About (3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride

(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride (PubChem CID 69059511) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is (3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride
PubChem CID69059511
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride
SMILESCOc1ccccc1CN[C@H]1CCNC[C@H]1c1ccccc1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-22-19-10-6-5-9-16(19)13-21-18-11-12-20-14-17(18)15-7-3-2-4-8-15;/h2-10,17-18,20-21H,11-14H2,1H3;1H/t17-,18-;/m0./s1
InChIKeyLVJMOVGGMJIEKY-APTPAJQOSA-N
XLogP3.35
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 69056336
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(3R,4S)-N-methyl-3-phenylpiperidin-4-amine
CID 91006555
N-[(2-methoxyphenyl)methyl]-2-phenyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepin-3-amine
CID 57144170
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
(3S,4S)-4-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]oxolan-3-amine
CID 46967603
N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide
CID 65422417

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride?
The IUPAC name of (3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride (CID 69059511) is (3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for (3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride?
The canonical SMILES for (3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride is COc1ccccc1CN[C@H]1CCNC[C@H]1c1ccccc1.Cl.
What is the InChIKey of (3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride?
The InChIKey is LVJMOVGGMJIEKY-APTPAJQOSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-22-19-10-6-5-9-16(19)13-21-18-11-12-20-14-17(18)15-7-3-2-4-8-15;/h2-10,17-18,20-21H,11-14H2,1H3;1H/t17-,18-;/m0./s1.
What are the key properties of (3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride?
(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 69059511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).