2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine

C33H44N2O — CID 11648750

IUPAC2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine
SMILESCCCC1CCNC(C(c2ccccc2)c2ccccc2)C1NCc1cc(C(C)CC)ccc1OC
InChIInChI=1S/C33H44N2O/c1-5-13-27-20-21-34-33(31(25-14-9-7-10-15-25)26-16-11-8-12-17-26)32(27)35-23-29-22-28(24(3)6-2)18-19-30(29)36-4/h7-12,14-19,22,24,27,31-35H,5-6,13,20-21,23H2,1-4H3
InChIKeyVIHNNAVDPBUSND-UHFFFAOYSA-N
MW484.73 g/mol
LogP7.28
Rot. Bonds11

About 2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine

2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine (PubChem CID 11648750) has the molecular formula C33H44N2O and a molecular weight of 484.73 g/mol. Its IUPAC name is 2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine.

Molecular Properties

Compound Name2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine
PubChem CID11648750
Molecular FormulaC33H44N2O
Molecular Weight484.73 g/mol
Exact Mass484.35
IUPAC Name2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine
SMILESCCCC1CCNC(C(c2ccccc2)c2ccccc2)C1NCc1cc(C(C)CC)ccc1OC
InChIInChI=1S/C33H44N2O/c1-5-13-27-20-21-34-33(31(25-14-9-7-10-15-25)26-16-11-8-12-17-26)32(27)35-23-29-22-28(24(3)6-2)18-19-30(29)36-4/h7-12,14-19,22,24,27,31-35H,5-6,13,20-21,23H2,1-4H3
InChIKeyVIHNNAVDPBUSND-UHFFFAOYSA-N
XLogP7.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.73
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine
CID 67820435
2-[5-benzhydryl-4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]pyrrolidin-3-yl]ethanol
CID 19974854
2-[5-benzhydryl-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-3-yl]ethanol
CID 19974855
2-[5-benzhydryl-4-[(2-methoxy-4,5-dimethylphenyl)methylamino]pyrrolidin-3-yl]ethanol
CID 19974869
(3R)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 59045714
methyl 2-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]propanoate
CID 57320821
2-benzhydryl-N-[(5-ethyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 10160487
(2R,4S,5S,6S)-6-benzhydryl-5-[(2-methoxy-5-propan-2-ylphenyl)methylamino]-N,N-dimethyl-1-azabicyclo[2.2.2]octane-2-carboxamide
CID 70116486
N-[(2-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711434
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
(6S)-6-benzhydryl-5-[(2,5-dimethoxyphenyl)methylamino]-1-azabicyclo[2.2.2]octane-2-carboxylic acid
CID 67653274
N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine
CID 139699820

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine?
The IUPAC name of 2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine (CID 11648750) is 2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine.
What is the SMILES notation for 2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine?
The canonical SMILES for 2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine is CCCC1CCNC(C(c2ccccc2)c2ccccc2)C1NCc1cc(C(C)CC)ccc1OC.
What is the InChIKey of 2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine?
The InChIKey is VIHNNAVDPBUSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N2O/c1-5-13-27-20-21-34-33(31(25-14-9-7-10-15-25)26-16-11-8-12-17-26)32(27)35-23-29-22-28(24(3)6-2)18-19-30(29)36-4/h7-12,14-19,22,24,27,31-35H,5-6,13,20-21,23H2,1-4H3.
What are the key properties of 2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine?
2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine has a molecular weight of 484.73 g/mol, XLogP of 7.28, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-N-[(5-butan-2-yl-2-methoxyphenyl)methyl]-4-propylpiperidin-3-amine is sourced from PubChem (CID 11648750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).