N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine

C17H25ClN2 — CID 83007014

IUPACN-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2/c1-12-4-3-5-13(2)20(12)19-17-10-15(11-17)14-6-8-16(18)9-7-14/h6-9,12-13,15,17,19H,3-5,10-11H2,1-2H3
InChIKeyABQYGAMKVNEDOJ-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.35
Rot. Bonds3

About N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine

N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83007014) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83007014
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC NameN-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2/c1-12-4-3-5-13(2)20(12)19-17-10-15(11-17)14-6-8-16(18)9-7-14/h6-9,12-13,15,17,19H,3-5,10-11H2,1-2H3
InChIKeyABQYGAMKVNEDOJ-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine
CID 83010056
3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine
CID 104530462
2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol
CID 62358659
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300
1-chloro-4-(4-cyclobutylcyclohexyl)benzene
CID 70797476
N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine
CID 79861143
4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine
CID 62318692
1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone
CID 91060117
tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
CID 139378065
3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882566
1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65107309
3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine
CID 43635778

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine (CID 83007014) is N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine is CC1CCCC(C)N1NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is ABQYGAMKVNEDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-12-4-3-5-13(2)20(12)19-17-10-15(11-17)14-6-8-16(18)9-7-14/h6-9,12-13,15,17,19H,3-5,10-11H2,1-2H3.
What are the key properties of N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine?
N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 292.85 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83007014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).