1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide

C15H22FN3O — CID 103194899

IUPAC1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2cc(F)ccc2CN)C1
InChIInChI=1S/C15H22FN3O/c1-18-15(20)12-3-2-6-19(9-12)10-13-7-14(16)5-4-11(13)8-17/h4-5,7,12H,2-3,6,8-10,17H2,1H3,(H,18,20)
InChIKeyUNXVLIRRXYABMM-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.24
Rot. Bonds4

About 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide

1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103194899) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide
PubChem CID103194899
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2cc(F)ccc2CN)C1
InChIInChI=1S/C15H22FN3O/c1-18-15(20)12-3-2-6-19(9-12)10-13-7-14(16)5-4-11(13)8-17/h4-5,7,12H,2-3,6,8-10,17H2,1H3,(H,18,20)
InChIKeyUNXVLIRRXYABMM-UHFFFAOYSA-N
XLogP1.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide
CID 63288757
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 136534264
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194922
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916869
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
CID 63289199
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 103196893
methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 113345079
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide (CID 103194899) is 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(Cc2cc(F)ccc2CN)C1.
What is the InChIKey of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is UNXVLIRRXYABMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-18-15(20)12-3-2-6-19(9-12)10-13-7-14(16)5-4-11(13)8-17/h4-5,7,12H,2-3,6,8-10,17H2,1H3,(H,18,20).
What are the key properties of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide?
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).