2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol

C13H19NO3S — CID 117426876

IUPAC2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol
SMILESCS(=O)(=O)c1c(O)cccc1CC1CCNCC1
InChIInChI=1S/C13H19NO3S/c1-18(16,17)13-11(3-2-4-12(13)15)9-10-5-7-14-8-6-10/h2-4,10,14-15H,5-9H2,1H3
InChIKeyIQZCQLKRRZYBFS-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.34
Rot. Bonds3

About 2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol

2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol (PubChem CID 117426876) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol
PubChem CID117426876
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol
SMILESCS(=O)(=O)c1c(O)cccc1CC1CCNCC1
InChIInChI=1S/C13H19NO3S/c1-18(16,17)13-11(3-2-4-12(13)15)9-10-5-7-14-8-6-10/h2-4,10,14-15H,5-9H2,1H3
InChIKeyIQZCQLKRRZYBFS-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol
CID 117490642
4-[(3-methylsulfonylphenyl)methyl]piperidine
CID 84804489
2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
CID 84787993
4-[(2-fluoro-4-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117485597
1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one
CID 117328853
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
4-nitro-2-(piperidin-4-ylmethyl)phenol
CID 117344886
(3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride
CID 117458220
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol
CID 117355624
4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride
CID 22676590
methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate
CID 118948751

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol (CID 117426876) is 2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol is CS(=O)(=O)c1c(O)cccc1CC1CCNCC1.
What is the InChIKey of 2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol?
The InChIKey is IQZCQLKRRZYBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-18(16,17)13-11(3-2-4-12(13)15)9-10-5-7-14-8-6-10/h2-4,10,14-15H,5-9H2,1H3.
What are the key properties of 2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol?
2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol has a molecular weight of 269.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 117426876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).