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

C12H17ClN2 — CID 58860729

IUPAC(2S)-2-[2-(3-chlorophenyl)ethyl]piperazine
SMILESClc1cccc(CC[C@H]2CNCCN2)c1
InChIInChI=1S/C12H17ClN2/c13-11-3-1-2-10(8-11)4-5-12-9-14-6-7-15-12/h1-3,8,12,14-15H,4-7,9H2/t12-/m0/s1
InChIKeyRTLMSNPNFGILKM-LBPRGKRZSA-N
MW224.73 g/mol
LogP1.83
Rot. Bonds3

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

(2S)-2-[2-(3-chlorophenyl)ethyl]piperazine (PubChem CID 58860729) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is (2S)-2-[2-(3-chlorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name(2S)-2-[2-(3-chlorophenyl)ethyl]piperazine
PubChem CID58860729
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name(2S)-2-[2-(3-chlorophenyl)ethyl]piperazine
SMILESClc1cccc(CC[C@H]2CNCCN2)c1
InChIInChI=1S/C12H17ClN2/c13-11-3-1-2-10(8-11)4-5-12-9-14-6-7-15-12/h1-3,8,12,14-15H,4-7,9H2/t12-/m0/s1
InChIKeyRTLMSNPNFGILKM-LBPRGKRZSA-N
XLogP1.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
2-(2-phenylethyl)piperazine;dihydrochloride
CID 67602755
2-[2-(3-chlorophenyl)ethyl]oxirane
CID 22123721
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
(2S)-2-[3-(2-chlorophenyl)propyl]piperazine
CID 142812493
(2S)-2-[2-(2-methylphenyl)ethyl]piperazine
CID 163935579
2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine
CID 174905579
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
[4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol
CID 83730119
3-[(3-chlorophenyl)methyl]thiomorpholine
CID 82288156

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3-chlorophenyl)ethyl]piperazine?
The IUPAC name of (2S)-2-[2-(3-chlorophenyl)ethyl]piperazine (CID 58860729) is (2S)-2-[2-(3-chlorophenyl)ethyl]piperazine.
What is the SMILES notation for (2S)-2-[2-(3-chlorophenyl)ethyl]piperazine?
The canonical SMILES for (2S)-2-[2-(3-chlorophenyl)ethyl]piperazine is Clc1cccc(CC[C@H]2CNCCN2)c1.
What is the InChIKey of (2S)-2-[2-(3-chlorophenyl)ethyl]piperazine?
The InChIKey is RTLMSNPNFGILKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-11-3-1-2-10(8-11)4-5-12-9-14-6-7-15-12/h1-3,8,12,14-15H,4-7,9H2/t12-/m0/s1.
What are the key properties of (2S)-2-[2-(3-chlorophenyl)ethyl]piperazine?
(2S)-2-[2-(3-chlorophenyl)ethyl]piperazine has a molecular weight of 224.73 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3-chlorophenyl)ethyl]piperazine is sourced from PubChem (CID 58860729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).