(2S)-2-[3-(2-chlorophenyl)propyl]piperazine

C13H19ClN2 — CID 142812493

IUPAC(2S)-2-[3-(2-chlorophenyl)propyl]piperazine
SMILESClc1ccccc1CCC[C@H]1CNCCN1
InChIInChI=1S/C13H19ClN2/c14-13-7-2-1-4-11(13)5-3-6-12-10-15-8-9-16-12/h1-2,4,7,12,15-16H,3,5-6,8-10H2/t12-/m0/s1
InChIKeyCQUPOZOWCTYVDC-LBPRGKRZSA-N
MW238.76 g/mol
LogP2.22
Rot. Bonds4

About (2S)-2-[3-(2-chlorophenyl)propyl]piperazine

(2S)-2-[3-(2-chlorophenyl)propyl]piperazine (PubChem CID 142812493) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is (2S)-2-[3-(2-chlorophenyl)propyl]piperazine.

Molecular Properties

Compound Name(2S)-2-[3-(2-chlorophenyl)propyl]piperazine
PubChem CID142812493
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name(2S)-2-[3-(2-chlorophenyl)propyl]piperazine
SMILESClc1ccccc1CCC[C@H]1CNCCN1
InChIInChI=1S/C13H19ClN2/c14-13-7-2-1-4-11(13)5-3-6-12-10-15-8-9-16-12/h1-2,4,7,12,15-16H,3,5-6,8-10H2/t12-/m0/s1
InChIKeyCQUPOZOWCTYVDC-LBPRGKRZSA-N
XLogP2.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(2-methylphenyl)ethyl]piperazine
CID 163935579
(2S)-2-[2-(3-chlorophenyl)ethyl]piperazine
CID 58860729
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CID 21338454
2-(2-phenylsulfanylethyl)piperazine
CID 69215324
(2R)-2-butylpiperazine
CID 11182666
2-[(2-chlorophenyl)methyl]azetidine
CID 84658268
(2S)-2-[2-(4-fluorophenyl)ethyl]piperazine
CID 69487151
4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
2-octadecylpiperazine
CID 155671137
2-benzyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese
CID 59891255
azane;1-butyl-2-chlorobenzene
CID 19011342
1-chloro-2-(13-chlorotridecyl)benzene
CID 141077015

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2-chlorophenyl)propyl]piperazine?
The IUPAC name of (2S)-2-[3-(2-chlorophenyl)propyl]piperazine (CID 142812493) is (2S)-2-[3-(2-chlorophenyl)propyl]piperazine.
What is the SMILES notation for (2S)-2-[3-(2-chlorophenyl)propyl]piperazine?
The canonical SMILES for (2S)-2-[3-(2-chlorophenyl)propyl]piperazine is Clc1ccccc1CCC[C@H]1CNCCN1.
What is the InChIKey of (2S)-2-[3-(2-chlorophenyl)propyl]piperazine?
The InChIKey is CQUPOZOWCTYVDC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-13-7-2-1-4-11(13)5-3-6-12-10-15-8-9-16-12/h1-2,4,7,12,15-16H,3,5-6,8-10H2/t12-/m0/s1.
What are the key properties of (2S)-2-[3-(2-chlorophenyl)propyl]piperazine?
(2S)-2-[3-(2-chlorophenyl)propyl]piperazine has a molecular weight of 238.76 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2-chlorophenyl)propyl]piperazine is sourced from PubChem (CID 142812493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).