1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine

C15H23ClN2S — CID 117481410

IUPAC1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine
SMILESCC(C)Sc1ccc(CCN2CCNCC2)cc1Cl
InChIInChI=1S/C15H23ClN2S/c1-12(2)19-15-4-3-13(11-14(15)16)5-8-18-9-6-17-7-10-18/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyUZHQEXSMDRGDPC-UHFFFAOYSA-N
MW298.88 g/mol
LogP3.29
Rot. Bonds5

About 1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine

1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine (PubChem CID 117481410) has the molecular formula C15H23ClN2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine
PubChem CID117481410
Molecular FormulaC15H23ClN2S
Molecular Weight298.88 g/mol
Exact Mass298.13
IUPAC Name1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine
SMILESCC(C)Sc1ccc(CCN2CCNCC2)cc1Cl
InChIInChI=1S/C15H23ClN2S/c1-12(2)19-15-4-3-13(11-14(15)16)5-8-18-9-6-17-7-10-18/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyUZHQEXSMDRGDPC-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 82264855
4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 117456610
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670
1-[2-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
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1-[2-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane
CID 82482788
1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
CID 82264824
1-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane
CID 82086321
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
1-[2-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 82255560
1-[2-[3-chloro-4-(thietan-3-yloxy)phenyl]ethyl]piperazine
CID 117497942
1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one
CID 96680180

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine (CID 117481410) is 1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine is CC(C)Sc1ccc(CCN2CCNCC2)cc1Cl.
What is the InChIKey of 1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine?
The InChIKey is UZHQEXSMDRGDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2S/c1-12(2)19-15-4-3-13(11-14(15)16)5-8-18-9-6-17-7-10-18/h3-4,11-12,17H,5-10H2,1-2H3.
What are the key properties of 1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine?
1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine has a molecular weight of 298.88 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine is sourced from PubChem (CID 117481410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).