2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine

C13H20ClN3 — CID 43135360

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
SMILESCNCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H20ClN3/c1-15-6-7-16-8-10-17(11-9-16)13-4-2-12(14)3-5-13/h2-5,15H,6-11H2,1H3
InChIKeyACUPWIQPBJAMJI-UHFFFAOYSA-N
MW253.78 g/mol
LogP1.68
Rot. Bonds4

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine (PubChem CID 43135360) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
PubChem CID43135360
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
SMILESCNCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H20ClN3/c1-15-6-7-16-8-10-17(11-9-16)13-4-2-12(14)3-5-13/h2-5,15H,6-11H2,1H3
InChIKeyACUPWIQPBJAMJI-UHFFFAOYSA-N
XLogP1.68
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 61386697
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]prop-2-yn-1-amine
CID 62574146
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine
CID 62573775
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine
CID 62574147
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60849420
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine
CID 62419651
N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269096
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 79326592
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine
CID 103069182

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine (CID 43135360) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine is CNCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine?
The InChIKey is ACUPWIQPBJAMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-15-6-7-16-8-10-17(11-9-16)13-4-2-12(14)3-5-13/h2-5,15H,6-11H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine has a molecular weight of 253.78 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine is sourced from PubChem (CID 43135360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).