1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol

C12H17FN2O3S — CID 114677569

IUPAC1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)c2ccc(F)c(N)c2)CCC1O
InChIInChI=1S/C12H17FN2O3S/c1-8-7-15(5-4-12(8)16)19(17,18)9-2-3-10(13)11(14)6-9/h2-3,6,8,12,16H,4-5,7,14H2,1H3
InChIKeyLVYZECNJXKTISV-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.80
Rot. Bonds2

About 1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol

1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol (PubChem CID 114677569) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
PubChem CID114677569
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)c2ccc(F)c(N)c2)CCC1O
InChIInChI=1S/C12H17FN2O3S/c1-8-7-15(5-4-12(8)16)19(17,18)9-2-3-10(13)11(14)6-9/h2-3,6,8,12,16H,4-5,7,14H2,1H3
InChIKeyLVYZECNJXKTISV-UHFFFAOYSA-N
XLogP0.80
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680548
5-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-fluoroaniline
CID 55215595
1-(2-amino-5-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677579
4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline
CID 82844575
1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603
2-fluoro-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62986535
1-(3-amino-5-chloro-2-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 103052245
5-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonyl-2-fluoroaniline
CID 61140049
1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 106546810
2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66392269
1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 114679042
1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680583

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol?
The IUPAC name of 1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol (CID 114677569) is 1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol is CC1CN(S(=O)(=O)c2ccc(F)c(N)c2)CCC1O.
What is the InChIKey of 1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol?
The InChIKey is LVYZECNJXKTISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-8-7-15(5-4-12(8)16)19(17,18)9-2-3-10(13)11(14)6-9/h2-3,6,8,12,16H,4-5,7,14H2,1H3.
What are the key properties of 1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol?
1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol has a molecular weight of 288.34 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).