[1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol

C15H23NO4S — CID 22671789

IUPAC[1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol
SMILESCS(=O)(=O)N1CC(CO)CCC1COCc1ccccc1
InChIInChI=1S/C15H23NO4S/c1-21(18,19)16-9-14(10-17)7-8-15(16)12-20-11-13-5-3-2-4-6-13/h2-6,14-15,17H,7-12H2,1H3
InChIKeyLZZFQYKNWCJZHM-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.24
Rot. Bonds6

About [1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol

[1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol (PubChem CID 22671789) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is [1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol
PubChem CID22671789
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name[1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol
SMILESCS(=O)(=O)N1CC(CO)CCC1COCc1ccccc1
InChIInChI=1S/C15H23NO4S/c1-21(18,19)16-9-14(10-17)7-8-15(16)12-20-11-13-5-3-2-4-6-13/h2-6,14-15,17H,7-12H2,1H3
InChIKeyLZZFQYKNWCJZHM-UHFFFAOYSA-N
XLogP1.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-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

[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
[1-(phenylmethoxymethyl)piperidin-3-yl]methanol
CID 123481492
(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505242
(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine
CID 71714058
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
benzyl 4-(hydroxymethyl)piperidine-1-carboxylate;methanesulfonic acid
CID 86749923
1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one
CID 10022740
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
benzyl (2S)-2-(hydroxymethyl)-5-methoxypyrrolidine-1-carboxylate
CID 101130465
3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 111475189
(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
CID 155211250

Frequently Asked Questions

What is the IUPAC name of [1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol (CID 22671789) is [1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol is CS(=O)(=O)N1CC(CO)CCC1COCc1ccccc1.
What is the InChIKey of [1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol?
The InChIKey is LZZFQYKNWCJZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-21(18,19)16-9-14(10-17)7-8-15(16)12-20-11-13-5-3-2-4-6-13/h2-6,14-15,17H,7-12H2,1H3.
What are the key properties of [1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol?
[1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol has a molecular weight of 313.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 22671789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).