1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide

C14H20FN3O — CID 63288757

IUPAC1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide
SMILESNCc1cc(F)ccc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C14H20FN3O/c15-13-4-3-10(12(6-13)7-16)8-18-5-1-2-11(9-18)14(17)19/h3-4,6,11H,1-2,5,7-9,16H2,(H2,17,19)
InChIKeyBGHAKMZKRJDCES-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.98
Rot. Bonds4

About 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide

1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide (PubChem CID 63288757) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide
PubChem CID63288757
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide
SMILESNCc1cc(F)ccc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C14H20FN3O/c15-13-4-3-10(12(6-13)7-16)8-18-5-1-2-11(9-18)14(17)19/h3-4,6,11H,1-2,5,7-9,16H2,(H2,17,19)
InChIKeyBGHAKMZKRJDCES-UHFFFAOYSA-N
XLogP0.98
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-carbamothioyl-5-fluorophenyl)methyl]piperidine-3-carboxamide
CID 64763390
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194899
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
CID 63289199
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63289543
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 114081799
1-[(2-amino-4-bromophenyl)methyl]piperidine-3-carboxamide
CID 114380375
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 4528395
ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763743

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide (CID 63288757) is 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide is NCc1cc(F)ccc1CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide?
The InChIKey is BGHAKMZKRJDCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-13-4-3-10(12(6-13)7-16)8-18-5-1-2-11(9-18)14(17)19/h3-4,6,11H,1-2,5,7-9,16H2,(H2,17,19).
What are the key properties of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide?
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 63288757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).