(2R)-2-(4-ethylsulfanylphenyl)piperazine

C12H18N2S — CID 96847065

IUPAC(2R)-2-(4-ethylsulfanylphenyl)piperazine
SMILESCCSc1ccc([C@@H]2CNCCN2)cc1
InChIInChI=1S/C12H18N2S/c1-2-15-11-5-3-10(4-6-11)12-9-13-7-8-14-12/h3-6,12-14H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyXRAPZYKSWZQSAI-LBPRGKRZSA-N
MW222.36 g/mol
LogP2.03
Rot. Bonds3

About (2R)-2-(4-ethylsulfanylphenyl)piperazine

(2R)-2-(4-ethylsulfanylphenyl)piperazine (PubChem CID 96847065) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is (2R)-2-(4-ethylsulfanylphenyl)piperazine.

Molecular Properties

Compound Name(2R)-2-(4-ethylsulfanylphenyl)piperazine
PubChem CID96847065
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name(2R)-2-(4-ethylsulfanylphenyl)piperazine
SMILESCCSc1ccc([C@@H]2CNCCN2)cc1
InChIInChI=1S/C12H18N2S/c1-2-15-11-5-3-10(4-6-11)12-9-13-7-8-14-12/h3-6,12-14H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyXRAPZYKSWZQSAI-LBPRGKRZSA-N
XLogP2.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride
CID 171194743
2-(4-ethylphenyl)piperazine
CID 45036830
3-(4-ethylsulfanylphenyl)pyrrolidine
CID 82492447
3-(4-ethylsulfanylphenyl)piperidine
CID 82494383
4-(4-ethylsulfanylphenyl)piperidine
CID 82494376
(2S)-2-[4-(methoxymethyl)phenyl]piperazine
CID 67928117
2-phenyl-1,4,7,10-tetrazacyclododecane
CID 10901007
2-[4-(2-methylpropoxy)phenyl]piperazine
CID 82290919
(2R)-2-(4-propan-2-yloxyphenyl)piperazine
CID 95443937
2-(4-phenoxyphenyl)piperazine
CID 82298874
[4-[(2S)-piperazin-2-yl]phenyl] acetate;hydrochloride
CID 171193891
3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylsulfanylphenyl)piperazine?
The IUPAC name of (2R)-2-(4-ethylsulfanylphenyl)piperazine (CID 96847065) is (2R)-2-(4-ethylsulfanylphenyl)piperazine.
What is the SMILES notation for (2R)-2-(4-ethylsulfanylphenyl)piperazine?
The canonical SMILES for (2R)-2-(4-ethylsulfanylphenyl)piperazine is CCSc1ccc([C@@H]2CNCCN2)cc1.
What is the InChIKey of (2R)-2-(4-ethylsulfanylphenyl)piperazine?
The InChIKey is XRAPZYKSWZQSAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-15-11-5-3-10(4-6-11)12-9-13-7-8-14-12/h3-6,12-14H,2,7-9H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-2-(4-ethylsulfanylphenyl)piperazine?
(2R)-2-(4-ethylsulfanylphenyl)piperazine has a molecular weight of 222.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethylsulfanylphenyl)piperazine is sourced from PubChem (CID 96847065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).