[1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol

C20H24ClNO3S — CID 25369839

IUPAC[1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol
SMILESO=S(=O)(Cc1ccccc1)N1CCC(CO)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C20H24ClNO3S/c21-19-9-5-4-8-18(19)14-20(16-23)10-12-22(13-11-20)26(24,25)15-17-6-2-1-3-7-17/h1-9,23H,10-16H2
InChIKeyGKBMZMIZYYTYQC-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.49
Rot. Bonds6

About [1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol

[1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol (PubChem CID 25369839) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is [1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol
PubChem CID25369839
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC Name[1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol
SMILESO=S(=O)(Cc1ccccc1)N1CCC(CO)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C20H24ClNO3S/c21-19-9-5-4-8-18(19)14-20(16-23)10-12-22(13-11-20)26(24,25)15-17-6-2-1-3-7-17/h1-9,23H,10-16H2
InChIKeyGKBMZMIZYYTYQC-UHFFFAOYSA-N
XLogP3.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol 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-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
1-[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 26399890
[4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol
CID 30877017
[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56752488
[4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol
CID 45173972
[4-[(2-chlorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-4-yl]methanol
CID 28766387
[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 42215969
1-[4-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 25454897
[4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol
CID 56752619
3-benzylsulfonyl-6-[(2-chlorophenyl)methyl]-3,6-diazabicyclo[3.2.0]heptane
CID 131638522
[4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol
CID 74552846

Frequently Asked Questions

What is the IUPAC name of [1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol (CID 25369839) is [1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol is O=S(=O)(Cc1ccccc1)N1CCC(CO)(Cc2ccccc2Cl)CC1.
What is the InChIKey of [1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is GKBMZMIZYYTYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3S/c21-19-9-5-4-8-18(19)14-20(16-23)10-12-22(13-11-20)26(24,25)15-17-6-2-1-3-7-17/h1-9,23H,10-16H2.
What are the key properties of [1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol?
[1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 393.94 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 25369839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).