1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine

C12H18ClN3 — CID 152771280

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
SMILESCC(N)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H18ClN3/c1-10(14)15-6-8-16(9-7-15)12-4-2-11(13)3-5-12/h2-5,10H,6-9,14H2,1H3
InChIKeyJHOVPAQRQMDIJB-UHFFFAOYSA-N
MW239.75 g/mol
LogP1.77
Rot. Bonds2

About 1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine

1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine (PubChem CID 152771280) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
PubChem CID152771280
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
SMILESCC(N)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H18ClN3/c1-10(14)15-6-8-16(9-7-15)12-4-2-11(13)3-5-12/h2-5,10H,6-9,14H2,1H3
InChIKeyJHOVPAQRQMDIJB-UHFFFAOYSA-N
XLogP1.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-chlorophenyl)piperazin-1-yl]butanethioamide
CID 54945091
1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine
CID 175523140
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline
CID 54215483
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine
CID 62419651
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 46744278
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 62752357
2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
CID 61351960
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
2-bromo-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 15786018
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107022223

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine (CID 152771280) is 1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine is CC(N)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine?
The InChIKey is JHOVPAQRQMDIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-10(14)15-6-8-16(9-7-15)12-4-2-11(13)3-5-12/h2-5,10H,6-9,14H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine?
1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine has a molecular weight of 239.75 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 152771280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).