1-[1-(4-chlorophenyl)ethyl]piperazine

C12H17ClN2 — CID 3149818

IUPAC1-[1-(4-chlorophenyl)ethyl]piperazine
SMILESCC(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C12H17ClN2/c1-10(15-8-6-14-7-9-15)11-2-4-12(13)5-3-11/h2-5,10,14H,6-9H2,1H3
InChIKeyTXDDMVIATVZSAM-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.31
Rot. Bonds2

About 1-[1-(4-chlorophenyl)ethyl]piperazine

1-[1-(4-chlorophenyl)ethyl]piperazine (PubChem CID 3149818) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]piperazine
PubChem CID3149818
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-[1-(4-chlorophenyl)ethyl]piperazine
SMILESCC(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C12H17ClN2/c1-10(15-8-6-14-7-9-15)11-2-4-12(13)5-3-11/h2-5,10,14H,6-9H2,1H3
InChIKeyTXDDMVIATVZSAM-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]piperazine?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]piperazine (CID 3149818) is 1-[1-(4-chlorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]piperazine is CC(c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]piperazine?
The InChIKey is TXDDMVIATVZSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-10(15-8-6-14-7-9-15)11-2-4-12(13)5-3-11/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]piperazine?
1-[1-(4-chlorophenyl)ethyl]piperazine has a molecular weight of 224.73 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]piperazine is sourced from PubChem (CID 3149818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).