[4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol

C14H20FNO4S — CID 102970770

IUPAC[4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
SMILESCOC1CN(S(=O)(=O)c2cc(CO)ccc2F)CCC1C
InChIInChI=1S/C14H20FNO4S/c1-10-5-6-16(8-13(10)20-2)21(18,19)14-7-11(9-17)3-4-12(14)15/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3
InChIKeyUMVNMRWZKPZGPP-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.36
Rot. Bonds4

About [4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol

[4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol (PubChem CID 102970770) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is [4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
PubChem CID102970770
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name[4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
SMILESCOC1CN(S(=O)(=O)c2cc(CO)ccc2F)CCC1C
InChIInChI=1S/C14H20FNO4S/c1-10-5-6-16(8-13(10)20-2)21(18,19)14-7-11(9-17)3-4-12(14)15/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3
InChIKeyUMVNMRWZKPZGPP-UHFFFAOYSA-N
XLogP1.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
CID 102970791
2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 102970782
[4-[[(3S)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
CID 97122596
[4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
CID 97122597
N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline
CID 102964517
[3,4-difluoro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]methanol
CID 105117541
1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-3-methoxy-4-methylpiperidine
CID 102969021
3-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-fluoroaniline
CID 103530315
[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
CID 83224560
[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970851
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 102675606
4-fluoro-3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylbenzoic acid
CID 166621347

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol?
The IUPAC name of [4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol (CID 102970770) is [4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol?
The canonical SMILES for [4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol is COC1CN(S(=O)(=O)c2cc(CO)ccc2F)CCC1C.
What is the InChIKey of [4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol?
The InChIKey is UMVNMRWZKPZGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-10-5-6-16(8-13(10)20-2)21(18,19)14-7-11(9-17)3-4-12(14)15/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3.
What are the key properties of [4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol?
[4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol has a molecular weight of 317.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 102970770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).