N-benzyl-1-butylpiperidin-3-amine

C16H26N2 — CID 83993554

IUPACN-benzyl-1-butylpiperidin-3-amine
SMILESCCCCN1CCCC(NCc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-2-3-11-18-12-7-10-16(14-18)17-13-15-8-5-4-6-9-15/h4-6,8-9,16-17H,2-3,7,10-14H2,1H3
InChIKeyLVDQXUJJZHHQRK-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.04
Rot. Bonds6

About N-benzyl-1-butylpiperidin-3-amine

N-benzyl-1-butylpiperidin-3-amine (PubChem CID 83993554) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-benzyl-1-butylpiperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-1-butylpiperidin-3-amine
PubChem CID83993554
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-benzyl-1-butylpiperidin-3-amine
SMILESCCCCN1CCCC(NCc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-2-3-11-18-12-7-10-16(14-18)17-13-15-8-5-4-6-9-15/h4-6,8-9,16-17H,2-3,7,10-14H2,1H3
InChIKeyLVDQXUJJZHHQRK-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

N-benzyl-1-(2-chloroethyl)piperidin-3-amine
CID 131162483
N-benzyl-1-butyl-5-methylpiperidin-3-amine
CID 112541370
N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
CID 83993970
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45244892
1-[5-(benzylamino)-1-butylpiperidin-3-yl]propan-1-ol
CID 112541373
N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine
CID 45222723
1-butyl-N-methylpiperidin-3-amine
CID 62534430
N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45168889
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
CID 97168581
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butylpiperidin-3-amine?
The IUPAC name of N-benzyl-1-butylpiperidin-3-amine (CID 83993554) is N-benzyl-1-butylpiperidin-3-amine.
What is the SMILES notation for N-benzyl-1-butylpiperidin-3-amine?
The canonical SMILES for N-benzyl-1-butylpiperidin-3-amine is CCCCN1CCCC(NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-1-butylpiperidin-3-amine?
The InChIKey is LVDQXUJJZHHQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-11-18-12-7-10-16(14-18)17-13-15-8-5-4-6-9-15/h4-6,8-9,16-17H,2-3,7,10-14H2,1H3.
What are the key properties of N-benzyl-1-butylpiperidin-3-amine?
N-benzyl-1-butylpiperidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butylpiperidin-3-amine is sourced from PubChem (CID 83993554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).