1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine

C23H32N2 — CID 113223834

IUPAC1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine
SMILESCC(C)CC(NC1CCCN(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C23H32N2/c1-19(2)16-23(21-12-7-4-8-13-21)24-22-14-9-15-25(18-22)17-20-10-5-3-6-11-20/h3-8,10-13,19,22-24H,9,14-18H2,1-2H3
InChIKeyBLSWIFODVKJYEX-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.03
Rot. Bonds7

About 1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine

1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine (PubChem CID 113223834) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine
PubChem CID113223834
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine
SMILESCC(C)CC(NC1CCCN(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C23H32N2/c1-19(2)16-23(21-12-7-4-8-13-21)24-22-14-9-15-25(18-22)17-20-10-5-3-6-11-20/h3-8,10-13,19,22-24H,9,14-18H2,1-2H3
InChIKeyBLSWIFODVKJYEX-UHFFFAOYSA-N
XLogP5.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 113222340
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine
CID 103777389
3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709
2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide
CID 61464041
4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 113222336
1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
CID 61471775
1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
CID 43216052
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
1-benzyl-N-(2-methylsulfanylpropyl)piperidin-3-amine
CID 115895502

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine (CID 113223834) is 1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine is CC(C)CC(NC1CCCN(Cc2ccccc2)C1)c1ccccc1.
What is the InChIKey of 1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine?
The InChIKey is BLSWIFODVKJYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-19(2)16-23(21-12-7-4-8-13-21)24-22-14-9-15-25(18-22)17-20-10-5-3-6-11-20/h3-8,10-13,19,22-24H,9,14-18H2,1-2H3.
What are the key properties of 1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine?
1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine has a molecular weight of 336.52 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine is sourced from PubChem (CID 113223834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).