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

C15H24ClN3 — CID 62419651

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine
SMILESCNCCC(C)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H24ClN3/c1-13(7-8-17-2)18-9-11-19(12-10-18)15-5-3-14(16)4-6-15/h3-6,13,17H,7-12H2,1-2H3
InChIKeyYZGPGUHOMFPLDH-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.46
Rot. Bonds5

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

3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine (PubChem CID 62419651) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine
PubChem CID62419651
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine
SMILESCNCCC(C)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H24ClN3/c1-13(7-8-17-2)18-9-11-19(12-10-18)15-5-3-14(16)4-6-15/h3-6,13,17H,7-12H2,1-2H3
InChIKeyYZGPGUHOMFPLDH-UHFFFAOYSA-N
XLogP2.46
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 152771280
3-[4-(4-chlorophenyl)piperazin-1-yl]butanethioamide
CID 54945091
N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 55070322
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline
CID 54215483
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
3-(4-phenylpiperazin-1-yl)butan-1-amine
CID 60914326
N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425823
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine
CID 55069987
N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
CID 62424032
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 83284147

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine (CID 62419651) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine is CNCCC(C)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine?
The InChIKey is YZGPGUHOMFPLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-13(7-8-17-2)18-9-11-19(12-10-18)15-5-3-14(16)4-6-15/h3-6,13,17H,7-12H2,1-2H3.
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine?
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 62419651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).