1-[(1R)-1-(2-chlorophenyl)propyl]piperazine

C13H19ClN2 — CID 92754288

IUPAC1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
SMILESCC[C@H](c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C13H19ClN2/c1-2-13(16-9-7-15-8-10-16)11-5-3-4-6-12(11)14/h3-6,13,15H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyCBDFPDSEWKYUIZ-CYBMUJFWSA-N
MW238.76 g/mol
LogP2.70
Rot. Bonds3

About 1-[(1R)-1-(2-chlorophenyl)propyl]piperazine

1-[(1R)-1-(2-chlorophenyl)propyl]piperazine (PubChem CID 92754288) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chlorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
PubChem CID92754288
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
SMILESCC[C@H](c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C13H19ClN2/c1-2-13(16-9-7-15-8-10-16)11-5-3-4-6-12(11)14/h3-6,13,15H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyCBDFPDSEWKYUIZ-CYBMUJFWSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171277444
(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183556
1-[(1R)-1-(2-methylphenyl)propyl]piperazine
CID 92754595
1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine
CID 67966584
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine
CID 171294077
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
1-[(1R)-1-(2,3-dimethylphenyl)propyl]piperazine
CID 96660511
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
CID 171164114
1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine
CID 82481656
1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677014

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chlorophenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-chlorophenyl)propyl]piperazine (CID 92754288) is 1-[(1R)-1-(2-chlorophenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-chlorophenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-chlorophenyl)propyl]piperazine is CC[C@H](c1ccccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-chlorophenyl)propyl]piperazine?
The InChIKey is CBDFPDSEWKYUIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-13(16-9-7-15-8-10-16)11-5-3-4-6-12(11)14/h3-6,13,15H,2,7-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-chlorophenyl)propyl]piperazine?
1-[(1R)-1-(2-chlorophenyl)propyl]piperazine has a molecular weight of 238.76 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chlorophenyl)propyl]piperazine is sourced from PubChem (CID 92754288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).