4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol

C13H19NO3S — CID 69265878

IUPAC4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol
SMILESCS(=O)(=O)c1ccc(CC2(O)CCNCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-18(16,17)12-4-2-11(3-5-12)10-13(15)6-8-14-9-7-13/h2-5,14-15H,6-10H2,1H3
InChIKeyBZCAQEHLKYMHRO-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.75
Rot. Bonds3

About 4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol

4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol (PubChem CID 69265878) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol
PubChem CID69265878
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol
SMILESCS(=O)(=O)c1ccc(CC2(O)CCNCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-18(16,17)12-4-2-11(3-5-12)10-13(15)6-8-14-9-7-13/h2-5,14-15H,6-10H2,1H3
InChIKeyBZCAQEHLKYMHRO-UHFFFAOYSA-N
XLogP0.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol (CID 69265878) is 4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol is CS(=O)(=O)c1ccc(CC2(O)CCNCC2)cc1.
What is the InChIKey of 4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol?
The InChIKey is BZCAQEHLKYMHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-18(16,17)12-4-2-11(3-5-12)10-13(15)6-8-14-9-7-13/h2-5,14-15H,6-10H2,1H3.
What are the key properties of 4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol?
4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol has a molecular weight of 269.37 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfonylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 69265878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).