1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine

C18H28N2S — CID 3764341

IUPAC1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine
SMILESCCSc1ccc(CN2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C18H28N2S/c1-2-21-18-9-7-16(8-10-18)15-19-11-13-20(14-12-19)17-5-3-4-6-17/h7-10,17H,2-6,11-15H2,1H3
InChIKeyAFEYREQZNJBPBQ-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.86
Rot. Bonds5

About 1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine

1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine (PubChem CID 3764341) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine
PubChem CID3764341
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine
SMILESCCSc1ccc(CN2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C18H28N2S/c1-2-21-18-9-7-16(8-10-18)15-19-11-13-20(14-12-19)17-5-3-4-6-17/h7-10,17H,2-6,11-15H2,1H3
InChIKeyAFEYREQZNJBPBQ-UHFFFAOYSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine
CID 83727457
5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368313
4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368664
1-[(4-chlorophenyl)methyl]-4-cycloheptylpiperazine;oxalic acid
CID 17366730
1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1341022
1-[(4-ethylsulfanylphenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane
CID 3824106
[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438353
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone
CID 57442752
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
1-cycloheptyl-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483560
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine (CID 3764341) is 1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine is CCSc1ccc(CN2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine?
The InChIKey is AFEYREQZNJBPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-2-21-18-9-7-16(8-10-18)15-19-11-13-20(14-12-19)17-5-3-4-6-17/h7-10,17H,2-6,11-15H2,1H3.
What are the key properties of 1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine?
1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine has a molecular weight of 304.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine is sourced from PubChem (CID 3764341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).