2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride

C16H27ClN2O3S — CID 120753314

IUPAC2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CCS(=O)(=O)C(C)C.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-13(2)22(19,20)11-10-18-9-8-17-12-15(18)14-6-4-5-7-16(14)21-3;/h4-7,13,15,17H,8-12H2,1-3H3;1H
InChIKeyQYDGJRBCHKAEDY-UHFFFAOYSA-N
MW362.92 g/mol
LogP1.89
Rot. Bonds6

About 2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride

2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride (PubChem CID 120753314) has the molecular formula C16H27ClN2O3S and a molecular weight of 362.92 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
PubChem CID120753314
Molecular FormulaC16H27ClN2O3S
Molecular Weight362.92 g/mol
Exact Mass362.14
IUPAC Name2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CCS(=O)(=O)C(C)C.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-13(2)22(19,20)11-10-18-9-8-17-12-15(18)14-6-4-5-7-16(14)21-3;/h4-7,13,15,17H,8-12H2,1-3H3;1H
InChIKeyQYDGJRBCHKAEDY-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.92
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride 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

1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753931
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120753875
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride
CID 120753973
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
2-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 103815391
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 120754221
2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride
CID 120757517
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride?
The IUPAC name of 2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride (CID 120753314) is 2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride is COc1ccccc1C1CNCCN1CCS(=O)(=O)C(C)C.Cl.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride?
The InChIKey is QYDGJRBCHKAEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S.ClH/c1-13(2)22(19,20)11-10-18-9-8-17-12-15(18)14-6-4-5-7-16(14)21-3;/h4-7,13,15,17H,8-12H2,1-3H3;1H.
What are the key properties of 2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride?
2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride has a molecular weight of 362.92 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride is sourced from PubChem (CID 120753314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).