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

C13H19FN2O3S — CID 63288078

IUPAC[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
SMILESNCc1cc(S(=O)(=O)N2CCCCC2CO)ccc1F
InChIInChI=1S/C13H19FN2O3S/c14-13-5-4-12(7-10(13)8-15)20(18,19)16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9,15H2
InChIKeyINRMZCLECHGWMY-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.82
Rot. Bonds4

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

[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol (PubChem CID 63288078) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is [1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
PubChem CID63288078
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
SMILESNCc1cc(S(=O)(=O)N2CCCCC2CO)ccc1F
InChIInChI=1S/C13H19FN2O3S/c14-13-5-4-12(7-10(13)8-15)20(18,19)16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9,15H2
InChIKeyINRMZCLECHGWMY-UHFFFAOYSA-N
XLogP0.82
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370
2-fluoro-5-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 61408927
[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
CID 116634411
[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409282
[1-(3-fluoro-4-methoxyphenyl)sulfonylazepan-2-yl]methanol
CID 116636614
[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574533
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 115328812
[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
CID 43579020
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
CID 43574439
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
CID 43574426
[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 63321960

Frequently Asked Questions

What is the IUPAC name of [1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol (CID 63288078) is [1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol is NCc1cc(S(=O)(=O)N2CCCCC2CO)ccc1F.
What is the InChIKey of [1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol?
The InChIKey is INRMZCLECHGWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c14-13-5-4-12(7-10(13)8-15)20(18,19)16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9,15H2.
What are the key properties of [1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol?
[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol has a molecular weight of 302.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 63288078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).