[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

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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).