4-(4-cyclopropylpiperazin-1-yl)benzenethiol

C13H18N2S — CID 91011479

IUPAC4-(4-cyclopropylpiperazin-1-yl)benzenethiol
SMILESSc1ccc(N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C13H18N2S/c16-13-5-3-12(4-6-13)15-9-7-14(8-10-15)11-1-2-11/h3-6,11,16H,1-2,7-10H2
InChIKeyNOAYIYFITXNWKB-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.26
Rot. Bonds2

About 4-(4-cyclopropylpiperazin-1-yl)benzenethiol

4-(4-cyclopropylpiperazin-1-yl)benzenethiol (PubChem CID 91011479) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-(4-cyclopropylpiperazin-1-yl)benzenethiol.

Molecular Properties

Compound Name4-(4-cyclopropylpiperazin-1-yl)benzenethiol
PubChem CID91011479
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name4-(4-cyclopropylpiperazin-1-yl)benzenethiol
SMILESSc1ccc(N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C13H18N2S/c16-13-5-3-12(4-6-13)15-9-7-14(8-10-15)11-1-2-11/h3-6,11,16H,1-2,7-10H2
InChIKeyNOAYIYFITXNWKB-UHFFFAOYSA-N
XLogP2.26
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 114762371
1-(4-chlorophenyl)-4-(4-methylcyclohexyl)piperazine
CID 23856792
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoic acid
CID 69089179
1-cycloheptyl-4-phenylpiperazine
CID 2846720
1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone
CID 2846303
1-phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine
CID 2845220
2-[4-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]propane-1-thiol
CID 166981517
1-(4-methylcyclohexyl)-4-(4-nitrophenyl)piperazine
CID 2846428
1-[4-[4-(thian-4-yl)piperazin-1-yl]phenyl]ethanone
CID 91833277

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)benzenethiol?
The IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)benzenethiol (CID 91011479) is 4-(4-cyclopropylpiperazin-1-yl)benzenethiol.
What is the SMILES notation for 4-(4-cyclopropylpiperazin-1-yl)benzenethiol?
The canonical SMILES for 4-(4-cyclopropylpiperazin-1-yl)benzenethiol is Sc1ccc(N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 4-(4-cyclopropylpiperazin-1-yl)benzenethiol?
The InChIKey is NOAYIYFITXNWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c16-13-5-3-12(4-6-13)15-9-7-14(8-10-15)11-1-2-11/h3-6,11,16H,1-2,7-10H2.
What are the key properties of 4-(4-cyclopropylpiperazin-1-yl)benzenethiol?
4-(4-cyclopropylpiperazin-1-yl)benzenethiol has a molecular weight of 234.37 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylpiperazin-1-yl)benzenethiol is sourced from PubChem (CID 91011479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).