(2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine

C26H30N2O — CID 54178989

IUPAC(2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccccc1CN[C@@H]1CCCN(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C26H30N2O/c1-29-25-17-9-8-15-23(25)19-27-24-16-10-18-28(20-21-11-4-2-5-12-21)26(24)22-13-6-3-7-14-22/h2-9,11-15,17,24,26-27H,10,16,18-20H2,1H3/t24-,26-/m1/s1
InChIKeyPALPVEDAGGOYPX-AOYPEHQESA-N
MW386.54 g/mol
LogP5.19
Rot. Bonds7

About (2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine

(2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 54178989) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is (2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
PubChem CID54178989
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name(2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccccc1CN[C@@H]1CCCN(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C26H30N2O/c1-29-25-17-9-8-15-23(25)19-27-24-16-10-18-28(20-21-11-4-2-5-12-21)26(24)22-13-6-3-7-14-22/h2-9,11-15,17,24,26-27H,10,16,18-20H2,1H3/t24-,26-/m1/s1
InChIKeyPALPVEDAGGOYPX-AOYPEHQESA-N
XLogP5.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2S,3S)-3-[(2-methoxyphenyl)methylamino]-2-phenylpiperidin-1-yl]hexanoic acid
CID 57301973
(2S,3S,4S)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenyl-4-propan-2-ylpiperidin-3-amine
CID 15342230
1-(4-fluorophenyl)-4-[(2S,3S)-3-[(2-methoxyphenyl)methylamino]-2-phenylpiperidin-1-yl]butan-1-ol
CID 57096448
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
4-[(2S,3S)-3-[(2-methoxyphenyl)methylamino]-2-phenylpiperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 67851590
(2S,3S)-1-(1H-imidazol-2-ylmethyl)-N-[(5-iodo-2-methoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine
CID 178076468
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine
CID 57312448
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
CID 124500714
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine (CID 54178989) is (2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine is COc1ccccc1CN[C@@H]1CCCN(Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is PALPVEDAGGOYPX-AOYPEHQESA-N. The full InChI is InChI=1S/C26H30N2O/c1-29-25-17-9-8-15-23(25)19-27-24-16-10-18-28(20-21-11-4-2-5-12-21)26(24)22-13-6-3-7-14-22/h2-9,11-15,17,24,26-27H,10,16,18-20H2,1H3/t24-,26-/m1/s1.
What are the key properties of (2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
(2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 386.54 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 54178989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).