[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol

C14H21FN2O3S — CID 79178793

IUPAC[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol
SMILESCN(C)C1CCCN(S(=O)(=O)c2ccc(CO)cc2F)C1
InChIInChI=1S/C14H21FN2O3S/c1-16(2)12-4-3-7-17(9-12)21(19,20)14-6-5-11(10-18)8-13(14)15/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3
InChIKeyYHHRKHKJEFAMEP-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.03
Rot. Bonds4

About [4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol

[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol (PubChem CID 79178793) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is [4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol
PubChem CID79178793
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol
SMILESCN(C)C1CCCN(S(=O)(=O)c2ccc(CO)cc2F)C1
InChIInChI=1S/C14H21FN2O3S/c1-16(2)12-4-3-7-17(9-12)21(19,20)14-6-5-11(10-18)8-13(14)15/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3
InChIKeyYHHRKHKJEFAMEP-UHFFFAOYSA-N
XLogP1.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol
CID 79935876
N-cycloheptyl-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178549
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 116530450
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79186814
[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187593
[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol
CID 79187528
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 79178367
1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 143369490
[4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187737
(3R)-1-(4-chloro-2-nitrophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 95305756
2-[4-(chloromethyl)-2-fluorophenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115562788

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol?
The IUPAC name of [4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol (CID 79178793) is [4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol?
The canonical SMILES for [4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol is CN(C)C1CCCN(S(=O)(=O)c2ccc(CO)cc2F)C1.
What is the InChIKey of [4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol?
The InChIKey is YHHRKHKJEFAMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-16(2)12-4-3-7-17(9-12)21(19,20)14-6-5-11(10-18)8-13(14)15/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of [4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol?
[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol has a molecular weight of 316.40 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol is sourced from PubChem (CID 79178793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).