1-(2-chloro-1-phenylethyl)piperazine

C12H17ClN2 — CID 59260605

IUPAC1-(2-chloro-1-phenylethyl)piperazine
SMILESClCC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H17ClN2/c13-10-12(11-4-2-1-3-5-11)15-8-6-14-7-9-15/h1-5,12,14H,6-10H2
InChIKeyRNZBDMCNGCSOSJ-UHFFFAOYSA-N
MW224.73 g/mol
LogP1.87
Rot. Bonds3

About 1-(2-chloro-1-phenylethyl)piperazine

1-(2-chloro-1-phenylethyl)piperazine (PubChem CID 59260605) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(2-chloro-1-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-1-phenylethyl)piperazine
PubChem CID59260605
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-(2-chloro-1-phenylethyl)piperazine
SMILESClCC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H17ClN2/c13-10-12(11-4-2-1-3-5-11)15-8-6-14-7-9-15/h1-5,12,14H,6-10H2
InChIKeyRNZBDMCNGCSOSJ-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
1-[(1S)-3-methyl-1-phenylbut-3-enyl]piperazine;dihydrochloride
CID 171282917
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292149
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
CID 171181994
1-[bromo(phenyl)methyl]piperazine
CID 174618409
(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183512
phenyl(piperazin-1-yl)methanol
CID 23037926
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-phenylethyl)piperazine?
The IUPAC name of 1-(2-chloro-1-phenylethyl)piperazine (CID 59260605) is 1-(2-chloro-1-phenylethyl)piperazine.
What is the SMILES notation for 1-(2-chloro-1-phenylethyl)piperazine?
The canonical SMILES for 1-(2-chloro-1-phenylethyl)piperazine is ClCC(c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-(2-chloro-1-phenylethyl)piperazine?
The InChIKey is RNZBDMCNGCSOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-10-12(11-4-2-1-3-5-11)15-8-6-14-7-9-15/h1-5,12,14H,6-10H2.
What are the key properties of 1-(2-chloro-1-phenylethyl)piperazine?
1-(2-chloro-1-phenylethyl)piperazine has a molecular weight of 224.73 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-phenylethyl)piperazine is sourced from PubChem (CID 59260605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).