1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine

C15H23ClN2S — CID 82264855

IUPAC1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine
SMILESCC(C)Sc1ccc(Cl)cc1CCN1CCNCC1
InChIInChI=1S/C15H23ClN2S/c1-12(2)19-15-4-3-14(16)11-13(15)5-8-18-9-6-17-7-10-18/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyYNHWSAJTUVOSMM-UHFFFAOYSA-N
MW298.88 g/mol
LogP3.29
Rot. Bonds5

About 1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine

1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine (PubChem CID 82264855) has the molecular formula C15H23ClN2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine
PubChem CID82264855
Molecular FormulaC15H23ClN2S
Molecular Weight298.88 g/mol
Exact Mass298.13
IUPAC Name1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine
SMILESCC(C)Sc1ccc(Cl)cc1CCN1CCNCC1
InChIInChI=1S/C15H23ClN2S/c1-12(2)19-15-4-3-14(16)11-13(15)5-8-18-9-6-17-7-10-18/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyYNHWSAJTUVOSMM-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-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 117481410
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine
CID 117430146
N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 66158239
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1-[3-(2,5-dichlorophenyl)propyl]-1,4-diazepane
CID 83931363
1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine
CID 117406196
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119447334

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine (CID 82264855) is 1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine is CC(C)Sc1ccc(Cl)cc1CCN1CCNCC1.
What is the InChIKey of 1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine?
The InChIKey is YNHWSAJTUVOSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2S/c1-12(2)19-15-4-3-14(16)11-13(15)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-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine?
1-[2-(5-chloro-2-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-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine is sourced from PubChem (CID 82264855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).