1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide

C14H20FN3O — CID 103194586

IUPAC1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cccc(F)c2CN)C1
InChIInChI=1S/C14H20FN3O/c1-17-14(19)10-4-3-7-18(9-10)13-6-2-5-12(15)11(13)8-16/h2,5-6,10H,3-4,7-9,16H2,1H3,(H,17,19)
InChIKeyZVRAUTORLZMHRN-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.25
Rot. Bonds3

About 1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide

1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103194586) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
PubChem CID103194586
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cccc(F)c2CN)C1
InChIInChI=1S/C14H20FN3O/c1-17-14(19)10-4-3-7-18(9-10)13-6-2-5-12(15)11(13)8-16/h2,5-6,10H,3-4,7-9,16H2,1H3,(H,17,19)
InChIKeyZVRAUTORLZMHRN-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol
CID 79516188
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]methanamine
CID 79515492
1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624306
3,5-difluoro-4-[3-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 103196242
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194407
1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103194423
1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103195931
1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 103194379
1-[4-[2-(aminomethyl)-3-fluorophenyl]piperazin-1-yl]ethanone
CID 79516677

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide (CID 103194586) is 1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2cccc(F)c2CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is ZVRAUTORLZMHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-17-14(19)10-4-3-7-18(9-10)13-6-2-5-12(15)11(13)8-16/h2,5-6,10H,3-4,7-9,16H2,1H3,(H,17,19).
What are the key properties of 1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide?
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).