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

C15H24ClN3 — CID 79810940

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine
SMILESCCC(C)(N)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3/c1-3-15(2,17)12-18-7-9-19(10-8-18)14-6-4-5-13(16)11-14/h4-6,11H,3,7-10,12,17H2,1-2H3
InChIKeyJKXGRHHHONPVNI-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.59
Rot. Bonds4

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

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine (PubChem CID 79810940) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine
PubChem CID79810940
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine
SMILESCCC(C)(N)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3/c1-3-15(2,17)12-18-7-9-19(10-8-18)14-6-4-5-13(16)11-14/h4-6,11H,3,7-10,12,17H2,1-2H3
InChIKeyJKXGRHHHONPVNI-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

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
CID 60866133
3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 24693453
4-[4-(3-chlorophenyl)piperazin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 66453182
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161461
4-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylbutanethioamide
CID 65247125
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine (CID 79810940) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine is CCC(C)(N)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine?
The InChIKey is JKXGRHHHONPVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-15(2,17)12-18-7-9-19(10-8-18)14-6-4-5-13(16)11-14/h4-6,11H,3,7-10,12,17H2,1-2H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-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 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine is sourced from PubChem (CID 79810940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).