N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine

C18H28N2 — CID 83993970

IUPACN-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
SMILESc1ccc(CNC2CCCN(CC3CCCC3)C2)cc1
InChIInChI=1S/C18H28N2/c1-2-7-16(8-3-1)13-19-18-11-6-12-20(15-18)14-17-9-4-5-10-17/h1-3,7-8,17-19H,4-6,9-15H2
InChIKeyOWZISHSBOSYDEB-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.43
Rot. Bonds5

About N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine

N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine (PubChem CID 83993970) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
PubChem CID83993970
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
SMILESc1ccc(CNC2CCCN(CC3CCCC3)C2)cc1
InChIInChI=1S/C18H28N2/c1-2-7-16(8-3-1)13-19-18-11-6-12-20(15-18)14-17-9-4-5-10-17/h1-3,7-8,17-19H,4-6,9-15H2
InChIKeyOWZISHSBOSYDEB-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.43
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-butylpiperidin-3-amine
CID 83993554
N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine
CID 83993960
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
(3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 51635194
(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine
CID 51635795
benzene;N-benzylcyclohexanamine
CID 142622843
(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
CID 97168581
N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
CID 45250257
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine?
The IUPAC name of N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine (CID 83993970) is N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine.
What is the SMILES notation for N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine?
The canonical SMILES for N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine is c1ccc(CNC2CCCN(CC3CCCC3)C2)cc1.
What is the InChIKey of N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine?
The InChIKey is OWZISHSBOSYDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-7-16(8-3-1)13-19-18-11-6-12-20(15-18)14-17-9-4-5-10-17/h1-3,7-8,17-19H,4-6,9-15H2.
What are the key properties of N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine?
N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine is sourced from PubChem (CID 83993970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).