(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride

C25H29ClN2O — CID 67618693

IUPAC(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
SMILESCOc1ccc(-c2ccccc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl
InChIInChI=1S/C25H28N2O.ClH/c1-28-24-15-14-21(19-9-4-2-5-10-19)17-22(24)18-27-23-13-8-16-26-25(23)20-11-6-3-7-12-20;/h2-7,9-12,14-15,17,23,25-27H,8,13,16,18H2,1H3;1H/t23-,25-;/m0./s1
InChIKeyMBRFRPLYZPAJAC-CWAVIJBDSA-N
MW408.97 g/mol
LogP5.37
Rot. Bonds6

About (2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride

(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride (PubChem CID 67618693) has the molecular formula C25H29ClN2O and a molecular weight of 408.97 g/mol. Its IUPAC name is (2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
PubChem CID67618693
Molecular FormulaC25H29ClN2O
Molecular Weight408.97 g/mol
Exact Mass408.20
IUPAC Name(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
SMILESCOc1ccc(-c2ccccc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl
InChIInChI=1S/C25H28N2O.ClH/c1-28-24-15-14-21(19-9-4-2-5-10-19)17-22(24)18-27-23-13-8-16-26-25(23)20-11-6-3-7-12-20;/h2-7,9-12,14-15,17,23,25-27H,8,13,16,18H2,1H3;1H/t23-,25-;/m0./s1
InChIKeyMBRFRPLYZPAJAC-CWAVIJBDSA-N
XLogP5.37
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.97
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 11793012
N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 23276835
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2S,3S)-N-[(2-methoxy-5-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70200380
(2S,3S)-N-[[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67618812
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
N-[[2-methoxy-5-(6-methyl-2-pyridinyl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 22620040
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 86758791
(2S,3S)-N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 54104125
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 57292442
(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67677445

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride?
The IUPAC name of (2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride (CID 67618693) is (2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for (2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride?
The canonical SMILES for (2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride is COc1ccc(-c2ccccc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.
What is the InChIKey of (2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride?
The InChIKey is MBRFRPLYZPAJAC-CWAVIJBDSA-N. The full InChI is InChI=1S/C25H28N2O.ClH/c1-28-24-15-14-21(19-9-4-2-5-10-19)17-22(24)18-27-23-13-8-16-26-25(23)20-11-6-3-7-12-20;/h2-7,9-12,14-15,17,23,25-27H,8,13,16,18H2,1H3;1H/t23-,25-;/m0./s1.
What are the key properties of (2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride?
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride has a molecular weight of 408.97 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 67618693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).