1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol

C22H29N3O3S — CID 3817664

IUPAC1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol
SMILESO=S(=O)(c1ccccc1)N1CCC(O)(CN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H29N3O3S/c26-22(19-23-15-17-24(18-16-23)20-7-3-1-4-8-20)11-13-25(14-12-22)29(27,28)21-9-5-2-6-10-21/h1-10,26H,11-19H2
InChIKeyBVWUSKGTLQRJNR-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.02
Rot. Bonds5

About 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol

1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol (PubChem CID 3817664) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol
PubChem CID3817664
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol
SMILESO=S(=O)(c1ccccc1)N1CCC(O)(CN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H29N3O3S/c26-22(19-23-15-17-24(18-16-23)20-7-3-1-4-8-20)11-13-25(14-12-22)29(27,28)21-9-5-2-6-10-21/h1-10,26H,11-19H2
InChIKeyBVWUSKGTLQRJNR-UHFFFAOYSA-N
XLogP2.02
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-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

2-hydroxy-1-[(4R)-4-hydroxy-4-[(4-phenylpiperazin-1-yl)methyl]azepan-1-yl]ethanone
CID 124999720
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 2595436
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
1-(3-ethylsulfonylphenyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-4-ol
CID 178004695
1-acetyl-4-[(4-hydroxy-1-phenylpiperidin-4-yl)methyl]-1,4-diazepane-6-carboxylic acid
CID 132771183
N-benzyl-4-(4-phenylpiperazin-1-yl)sulfonylaniline
CID 90987929
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2369448

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol (CID 3817664) is 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol is O=S(=O)(c1ccccc1)N1CCC(O)(CN2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol?
The InChIKey is BVWUSKGTLQRJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c26-22(19-23-15-17-24(18-16-23)20-7-3-1-4-8-20)11-13-25(14-12-22)29(27,28)21-9-5-2-6-10-21/h1-10,26H,11-19H2.
What are the key properties of 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol?
1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol has a molecular weight of 415.56 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 3817664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).