[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine

C17H27N3 — CID 80998813

IUPAC[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine
SMILESCc1cccc(N2CCN(C3CCC3CN)CC2)c1C
InChIInChI=1S/C17H27N3/c1-13-4-3-5-16(14(13)2)19-8-10-20(11-9-19)17-7-6-15(17)12-18/h3-5,15,17H,6-12,18H2,1-2H3
InChIKeyFJZXOINXJHCTRA-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.16
Rot. Bonds3

About [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine

[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine (PubChem CID 80998813) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine
PubChem CID80998813
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine
SMILESCc1cccc(N2CCN(C3CCC3CN)CC2)c1C
InChIInChI=1S/C17H27N3/c1-13-4-3-5-16(14(13)2)19-8-10-20(11-9-19)17-7-6-15(17)12-18/h3-5,15,17H,6-12,18H2,1-2H3
InChIKeyFJZXOINXJHCTRA-UHFFFAOYSA-N
XLogP2.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 80997683
2-(2,3-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929866
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 43245851
3-(4-cyclopropylpiperazin-1-yl)-2-methylaniline
CID 55147181
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
CID 63715523
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylbutan-1-amine
CID 81084496
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylpentan-1-amine
CID 104681822
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 155975423
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
CID 108532094

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine?
The IUPAC name of [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine (CID 80998813) is [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine.
What is the SMILES notation for [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine?
The canonical SMILES for [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine is Cc1cccc(N2CCN(C3CCC3CN)CC2)c1C.
What is the InChIKey of [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine?
The InChIKey is FJZXOINXJHCTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13-4-3-5-16(14(13)2)19-8-10-20(11-9-19)17-7-6-15(17)12-18/h3-5,15,17H,6-12,18H2,1-2H3.
What are the key properties of [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine?
[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]cyclobutyl]methanamine is sourced from PubChem (CID 80998813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).