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

C14H20FN3O — CID 79155872

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
SMILESNCc1ccc(CNC(=O)N2CCCCC2)c(F)c1
InChIInChI=1S/C14H20FN3O/c15-13-8-11(9-16)4-5-12(13)10-17-14(19)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-10,16H2,(H,17,19)
InChIKeyQAARREJQVACTPX-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.98
Rot. Bonds3

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

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide (PubChem CID 79155872) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
PubChem CID79155872
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
SMILESNCc1ccc(CNC(=O)N2CCCCC2)c(F)c1
InChIInChI=1S/C14H20FN3O/c15-13-8-11(9-16)4-5-12(13)10-17-14(19)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-10,16H2,(H,17,19)
InChIKeyQAARREJQVACTPX-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide
CID 114456992
N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 79161738
1-N,4-N-bis[(3-fluoro-4-methylphenyl)methyl]-1,4-diazepane-1,4-dicarboxamide
CID 30886315
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 63359488
(3R)-3-[carbamoyl(cyclopropyl)amino]-N-[(4-ethyl-2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 170731630
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide
CID 63358790
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea
CID 63359762
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 166240817

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide (CID 79155872) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide is NCc1ccc(CNC(=O)N2CCCCC2)c(F)c1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide?
The InChIKey is QAARREJQVACTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-13-8-11(9-16)4-5-12(13)10-17-14(19)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-10,16H2,(H,17,19).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 79155872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).