2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol

C14H21FN2O3S — CID 107227335

IUPAC2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
SMILESNCc1cc(S(=O)(=O)N2CCCC(CCO)C2)ccc1F
InChIInChI=1S/C14H21FN2O3S/c15-14-4-3-13(8-12(14)9-16)21(19,20)17-6-1-2-11(10-17)5-7-18/h3-4,8,11,18H,1-2,5-7,9-10,16H2
InChIKeyOMFQZIFHFOZPPQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.07
Rot. Bonds5

About 2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol

2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol (PubChem CID 107227335) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
PubChem CID107227335
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
SMILESNCc1cc(S(=O)(=O)N2CCCC(CCO)C2)ccc1F
InChIInChI=1S/C14H21FN2O3S/c15-14-4-3-13(8-12(14)9-16)21(19,20)17-6-1-2-11(10-17)5-7-18/h3-4,8,11,18H,1-2,5-7,9-10,16H2
InChIKeyOMFQZIFHFOZPPQ-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334
1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol
CID 63288683
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820
[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 63623393
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
CID 107228635
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
2-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114799320
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 107227408
2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol
CID 63288121
2-[1-(2-amino-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211960

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol (CID 107227335) is 2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol is NCc1cc(S(=O)(=O)N2CCCC(CCO)C2)ccc1F.
What is the InChIKey of 2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol?
The InChIKey is OMFQZIFHFOZPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c15-14-4-3-13(8-12(14)9-16)21(19,20)17-6-1-2-11(10-17)5-7-18/h3-4,8,11,18H,1-2,5-7,9-10,16H2.
What are the key properties of 2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol?
2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol has a molecular weight of 316.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol is sourced from PubChem (CID 107227335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).