1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine

C15H24ClN3 — CID 115415275

IUPAC1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(CC1CN(C)CCN1C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN3/c1-17-15(12-4-6-13(16)7-5-12)10-14-11-18(2)8-9-19(14)3/h4-7,14-15,17H,8-11H2,1-3H3
InChIKeyCHGYNGQCNKJOIH-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.24
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine

1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (PubChem CID 115415275) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
PubChem CID115415275
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(CC1CN(C)CCN1C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN3/c1-17-15(12-4-6-13(16)7-5-12)10-14-11-18(2)8-9-19(14)3/h4-7,14-15,17H,8-11H2,1-3H3
InChIKeyCHGYNGQCNKJOIH-UHFFFAOYSA-N
XLogP2.24
TPSA18.51 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1,4-dimethylpiperazin-2-yl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105260295
1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415473
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 115415645
1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415518
2-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 115415291
1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 2757853
2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115415525
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763
[1-(2,5-difluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105260174
N-[1-(2-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 115415648
N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 107360088
(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79658672

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (CID 115415275) is 1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is CNC(CC1CN(C)CCN1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The InChIKey is CHGYNGQCNKJOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-17-15(12-4-6-13(16)7-5-12)10-14-11-18(2)8-9-19(14)3/h4-7,14-15,17H,8-11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine has a molecular weight of 281.83 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is sourced from PubChem (CID 115415275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).