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

C14H20FN3O — CID 107113264

IUPAC1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide
SMILESNCc1cccc(CN2CCCCC2C(N)=O)c1F
InChIInChI=1S/C14H20FN3O/c15-13-10(8-16)4-3-5-11(13)9-18-7-2-1-6-12(18)14(17)19/h3-5,12H,1-2,6-9,16H2,(H2,17,19)
InChIKeyIYPAULIFDDOCNH-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.12
Rot. Bonds4

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

1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide (PubChem CID 107113264) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide
PubChem CID107113264
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide
SMILESNCc1cccc(CN2CCCCC2C(N)=O)c1F
InChIInChI=1S/C14H20FN3O/c15-13-10(8-16)4-3-5-11(13)9-18-7-2-1-6-12(18)14(17)19/h3-5,12H,1-2,6-9,16H2,(H2,17,19)
InChIKeyIYPAULIFDDOCNH-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
1-[(3-chloro-2-fluorophenyl)methyl]piperidine-2-carbothioamide
CID 102855939
1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide
CID 63331060
1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 64770224
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462737
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671
1-[(3-carbamothioyl-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 107115446
1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine-2-carbothioamide
CID 102855938
[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-fluorophenyl]methanamine
CID 107113319
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of 1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide (CID 107113264) is 1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide is NCc1cccc(CN2CCCCC2C(N)=O)c1F.
What is the InChIKey of 1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide?
The InChIKey is IYPAULIFDDOCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-13-10(8-16)4-3-5-11(13)9-18-7-2-1-6-12(18)14(17)19/h3-5,12H,1-2,6-9,16H2,(H2,17,19).
What are the key properties of 1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide?
1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 107113264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).