1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine

C19H24N2O3S — CID 17368168

IUPAC1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-24-19-9-7-17(8-10-19)15-20-11-13-21(14-12-20)25(22,23)16-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyMIKBEVABIWPCSN-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.34
Rot. Bonds6

About 1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine

1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine (PubChem CID 17368168) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
PubChem CID17368168
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-24-19-9-7-17(8-10-19)15-20-11-13-21(14-12-20)25(22,23)16-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyMIKBEVABIWPCSN-UHFFFAOYSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine 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-Benzyl-4-(4-methoxybenzyl)piperazine
CID 762919
1-(4-Methoxybenzyl)-4-(3-phenylpropyl)piperazine
CID 1530021
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
1-(4-(3-(Piperidin-1-yl)propoxy)benzyl)piperidin-4-yl methanesulfonate
CID 44592166
6-Benzyl-8-[(4-methoxyphenyl)methyl]-6,8-diazabicyclo[3.2.2]nonane
CID 76313525
1-(3,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122329
1-(3-Methoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131760
(-)-(1S,5S,Z)-6-Allyl-2-benzylidene-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane
CID 44573612
1-(3-Phenylpropyl)-4-(4-methoxyphenethyl)piperazine
CID 401829
N-(4-Methoxy-benzyl)-4-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 654019
1-Benzyl-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 660773
1-[4-(Benzyloxy)benzyl]-4-ethylpiperazine
CID 782983

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine (CID 17368168) is 1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The InChIKey is MIKBEVABIWPCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-24-19-9-7-17(8-10-19)15-20-11-13-21(14-12-20)25(22,23)16-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3.
What are the key properties of 1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine has a molecular weight of 360.48 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 17368168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).