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

C15H22ClN3 — CID 80997683

IUPAC[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
SMILESNCC1CCC1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3/c16-13-2-1-3-14(10-13)18-6-8-19(9-7-18)15-5-4-12(15)11-17/h1-3,10,12,15H,4-9,11,17H2
InChIKeyKISUIKHAVCNRJD-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.20
Rot. Bonds3

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

[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine (PubChem CID 80997683) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is [2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
PubChem CID80997683
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
SMILESNCC1CCC1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3/c16-13-2-1-3-14(10-13)18-6-8-19(9-7-18)15-5-4-12(15)11-17/h1-3,10,12,15H,4-9,11,17H2
InChIKeyKISUIKHAVCNRJD-UHFFFAOYSA-N
XLogP2.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 102731807
[2-(4-phenylpiperazin-1-yl)cyclopentyl]methanamine
CID 43293527
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine
CID 6456424
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161461
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 24693453
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
CID 60866133
N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784679
2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one
CID 62053498
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103058539
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine?
The IUPAC name of [2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine (CID 80997683) is [2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine.
What is the SMILES notation for [2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine?
The canonical SMILES for [2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine is NCC1CCC1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine?
The InChIKey is KISUIKHAVCNRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-13-2-1-3-14(10-13)18-6-8-19(9-7-18)15-5-4-12(15)11-17/h1-3,10,12,15H,4-9,11,17H2.
What are the key properties of [2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine?
[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine has a molecular weight of 279.81 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine is sourced from PubChem (CID 80997683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).