1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine

C18H28N2 — CID 83997025

IUPAC1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
SMILESCC1CC(NCC2CCC2)CN(Cc2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-15-10-18(19-11-16-8-5-9-16)14-20(12-15)13-17-6-3-2-4-7-17/h2-4,6-7,15-16,18-19H,5,8-14H2,1H3
InChIKeyYYECHQQGKVQCQL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.29
Rot. Bonds5

About 1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine

1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine (PubChem CID 83997025) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
PubChem CID83997025
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
SMILESCC1CC(NCC2CCC2)CN(Cc2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-15-10-18(19-11-16-8-5-9-16)14-20(12-15)13-17-6-3-2-4-7-17/h2-4,6-7,15-16,18-19H,5,8-14H2,1H3
InChIKeyYYECHQQGKVQCQL-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83997039
N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83997030
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
1-benzyl-N-cyclohexyl-5-methylpiperidin-3-amine
CID 83999101
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
5-benzyl-N-(cyclobutylmethyl)-1-ethylpiperidin-3-amine
CID 83996943
N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83993582
1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
CID 107417487
N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine
CID 83997250
N-(cyclopentylmethyl)-5-methyl-1-(2-methylpropyl)piperidin-3-amine
CID 83997686

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine?
The IUPAC name of 1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine (CID 83997025) is 1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine is CC1CC(NCC2CCC2)CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine?
The InChIKey is YYECHQQGKVQCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-10-18(19-11-16-8-5-9-16)14-20(12-15)13-17-6-3-2-4-7-17/h2-4,6-7,15-16,18-19H,5,8-14H2,1H3.
What are the key properties of 1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine?
1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 83997025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).