6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol

C18H30N2OS — CID 97355562

IUPAC6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol
SMILESCCSc1ccccc1N1CCN(CCCCCCO)CC1
InChIInChI=1S/C18H30N2OS/c1-2-22-18-10-6-5-9-17(18)20-14-12-19(13-15-20)11-7-3-4-8-16-21/h5-6,9-10,21H,2-4,7-8,11-16H2,1H3
InChIKeyLQVFQKFARCDWKG-UHFFFAOYSA-N
MW322.52 g/mol
LogP3.47
Rot. Bonds9

About 6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol

6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol (PubChem CID 97355562) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is 6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol
PubChem CID97355562
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC Name6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol
SMILESCCSc1ccccc1N1CCN(CCCCCCO)CC1
InChIInChI=1S/C18H30N2OS/c1-2-22-18-10-6-5-9-17(18)20-14-12-19(13-15-20)11-7-3-4-8-16-21/h5-6,9-10,21H,2-4,7-8,11-16H2,1H3
InChIKeyLQVFQKFARCDWKG-UHFFFAOYSA-N
XLogP3.47
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione
CID 97356524
4-[4-(2-propylsulfanylphenyl)piperazin-1-yl]butyl N-ethylcarbamate
CID 97355621
3-[4-(2-propylsulfanylphenyl)piperazin-1-yl]propyl N-ethylcarbamate
CID 97355608
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
propyl N-[3-[4-(2-propylsulfanylphenyl)piperazin-1-yl]propyl]carbamate;hydrochloride
CID 117067112
1-[3-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]propyl]-3-naphthalen-1-ylpyrrolidine-2,5-dione;hydrochloride
CID 117068397
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
CID 55189416
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 43592199
2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol
CID 122157490
2-fluoro-6-[4-(5-hydroxypentyl)piperazin-1-yl]benzonitrile
CID 110923709
7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
CID 165175514
methyl N-[3-[4-(2-propan-2-ylsulfanylphenyl)piperazin-1-yl]propyl]carbamate
CID 97355649

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol?
The IUPAC name of 6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol (CID 97355562) is 6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol?
The canonical SMILES for 6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol is CCSc1ccccc1N1CCN(CCCCCCO)CC1.
What is the InChIKey of 6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol?
The InChIKey is LQVFQKFARCDWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-2-22-18-10-6-5-9-17(18)20-14-12-19(13-15-20)11-7-3-4-8-16-21/h5-6,9-10,21H,2-4,7-8,11-16H2,1H3.
What are the key properties of 6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol?
6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol has a molecular weight of 322.52 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol is sourced from PubChem (CID 97355562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).