[2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol

C14H20ClNO4S — CID 114320416

IUPAC[2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol
SMILESCS(=O)(=O)N1CCCC(COc2cccc(Cl)c2CO)C1
InChIInChI=1S/C14H20ClNO4S/c1-21(18,19)16-7-3-4-11(8-16)10-20-14-6-2-5-13(15)12(14)9-17/h2,5-6,11,17H,3-4,7-10H2,1H3
InChIKeyOMBNYXZYWDDURY-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.88
Rot. Bonds5

About [2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol

[2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol (PubChem CID 114320416) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is [2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol
PubChem CID114320416
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name[2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol
SMILESCS(=O)(=O)N1CCCC(COc2cccc(Cl)c2CO)C1
InChIInChI=1S/C14H20ClNO4S/c1-21(18,19)16-7-3-4-11(8-16)10-20-14-6-2-5-13(15)12(14)9-17/h2,5-6,11,17H,3-4,7-10H2,1H3
InChIKeyOMBNYXZYWDDURY-UHFFFAOYSA-N
XLogP1.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol
CID 114764358
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine
CID 79604536
2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol
CID 107709460
3-[(5-bromo-2-methylphenoxy)methyl]-1-methylsulfonylpiperidine
CID 107284258
5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]benzaldehyde
CID 79612879
1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
CID 110638637
3-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methoxy]benzonitrile
CID 103793518
1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011071
[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
CID 62993803
[2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 103135193
4-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]aniline
CID 79604451
3-[(2-methylphenoxy)methyl]-1-propylsulfonylpiperidine
CID 110638480

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol?
The IUPAC name of [2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol (CID 114320416) is [2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol is CS(=O)(=O)N1CCCC(COc2cccc(Cl)c2CO)C1.
What is the InChIKey of [2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol?
The InChIKey is OMBNYXZYWDDURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-21(18,19)16-7-3-4-11(8-16)10-20-14-6-2-5-13(15)12(14)9-17/h2,5-6,11,17H,3-4,7-10H2,1H3.
What are the key properties of [2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol?
[2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol has a molecular weight of 333.84 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 114320416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).