1-benzyl-N-butan-2-ylpiperidin-3-amine

C16H26N2 — CID 43145137

IUPAC1-benzyl-N-butan-2-ylpiperidin-3-amine
SMILESCCC(C)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-3-14(2)17-16-10-7-11-18(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3
InChIKeyFOPIYIGPORVHRE-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.04
Rot. Bonds5

About 1-benzyl-N-butan-2-ylpiperidin-3-amine

1-benzyl-N-butan-2-ylpiperidin-3-amine (PubChem CID 43145137) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-benzyl-N-butan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-butan-2-ylpiperidin-3-amine
PubChem CID43145137
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-benzyl-N-butan-2-ylpiperidin-3-amine
SMILESCCC(C)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-3-14(2)17-16-10-7-11-18(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3
InChIKeyFOPIYIGPORVHRE-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine
CID 103777389
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
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine
CID 113223834
3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide
CID 61464041
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 113222340

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-butan-2-ylpiperidin-3-amine?
The IUPAC name of 1-benzyl-N-butan-2-ylpiperidin-3-amine (CID 43145137) is 1-benzyl-N-butan-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-butan-2-ylpiperidin-3-amine?
The canonical SMILES for 1-benzyl-N-butan-2-ylpiperidin-3-amine is CCC(C)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-butan-2-ylpiperidin-3-amine?
The InChIKey is FOPIYIGPORVHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14(2)17-16-10-7-11-18(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3.
What are the key properties of 1-benzyl-N-butan-2-ylpiperidin-3-amine?
1-benzyl-N-butan-2-ylpiperidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-butan-2-ylpiperidin-3-amine is sourced from PubChem (CID 43145137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).