[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol

C14H21NO3S — CID 122463493

IUPAC[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
SMILESCS(=O)(=O)c1ccc(CN2CCC(CO)CC2)cc1
InChIInChI=1S/C14H21NO3S/c1-19(17,18)14-4-2-12(3-5-14)10-15-8-6-13(11-16)7-9-15/h2-5,13,16H,6-11H2,1H3
InChIKeyJKXWUDKTTUZTIP-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.29
Rot. Bonds4

About [1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol

[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol (PubChem CID 122463493) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is [1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
PubChem CID122463493
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
SMILESCS(=O)(=O)c1ccc(CN2CCC(CO)CC2)cc1
InChIInChI=1S/C14H21NO3S/c1-19(17,18)14-4-2-12(3-5-14)10-15-8-6-13(11-16)7-9-15/h2-5,13,16H,6-11H2,1H3
InChIKeyJKXWUDKTTUZTIP-UHFFFAOYSA-N
XLogP1.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 58974928
5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide
CID 174927371
N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62513794
[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
CID 170916888
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309
4-[(4-methylpiperidin-1-yl)methyl]benzenesulfonic acid
CID 94830309
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]propanoic acid
CID 105345641
3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 120781709
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351597
(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11631823
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarbothioamide
CID 43246141
(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
CID 99943201

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol (CID 122463493) is [1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol is CS(=O)(=O)c1ccc(CN2CCC(CO)CC2)cc1.
What is the InChIKey of [1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is JKXWUDKTTUZTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-19(17,18)14-4-2-12(3-5-14)10-15-8-6-13(11-16)7-9-15/h2-5,13,16H,6-11H2,1H3.
What are the key properties of [1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol?
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 283.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 122463493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).