2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine

C15H24ClN3 — CID 24693453

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3/c1-3-15(2,12-17)19-9-7-18(8-10-19)14-6-4-5-13(16)11-14/h4-6,11H,3,7-10,12,17H2,1-2H3
InChIKeyFYPBQBAOFLGNIQ-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.59
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine

2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine (PubChem CID 24693453) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
PubChem CID24693453
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3/c1-3-15(2,12-17)19-9-7-18(8-10-19)14-6-4-5-13(16)11-14/h4-6,11H,3,7-10,12,17H2,1-2H3
InChIKeyFYPBQBAOFLGNIQ-UHFFFAOYSA-N
XLogP2.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161461
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine
CID 79810940
1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine
CID 174396621
2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpentan-1-amine
CID 43187198
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 80997683
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
CID 60866133
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476
3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine
CID 78915727

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine (CID 24693453) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine is CCC(C)(CN)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine?
The InChIKey is FYPBQBAOFLGNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-15(2,12-17)19-9-7-18(8-10-19)14-6-4-5-13(16)11-14/h4-6,11H,3,7-10,12,17H2,1-2H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine?
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 2.59, 4 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]-2-methylbutan-1-amine is sourced from PubChem (CID 24693453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).