1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine

C15H24ClN3 — CID 115415115

IUPAC1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
SMILESCN1CCN(C)C(CC(N)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H24ClN3/c1-18-6-7-19(2)15(11-18)10-14(17)9-12-4-3-5-13(16)8-12/h3-5,8,14-15H,6-7,9-11,17H2,1-2H3
InChIKeyJIBYAXHXWOYVOB-UHFFFAOYSA-N
MW281.83 g/mol
LogP1.85
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine

1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine (PubChem CID 115415115) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
PubChem CID115415115
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
SMILESCN1CCN(C)C(CC(N)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H24ClN3/c1-18-6-7-19(2)15(11-18)10-14(17)9-12-4-3-5-13(16)8-12/h3-5,8,14-15H,6-7,9-11,17H2,1-2H3
InChIKeyJIBYAXHXWOYVOB-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260290
2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658979
1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415473
1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414918
3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol
CID 115415228
1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 115414992
1-(3-chlorophenyl)-4-methylsulfonylbutan-2-amine
CID 62606260
3-[(3-chlorophenyl)methyl]-1-methylazetidine
CID 155020955
1-(1,4-dimethylpiperazin-2-yl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-amine
CID 115415163
2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
CID 82923377

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine (CID 115415115) is 1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine is CN1CCN(C)C(CC(N)Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
The InChIKey is JIBYAXHXWOYVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-18-6-7-19(2)15(11-18)10-14(17)9-12-4-3-5-13(16)8-12/h3-5,8,14-15H,6-7,9-11,17H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine is sourced from PubChem (CID 115415115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).