1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide

C13H18FN3O — CID 102813342

IUPAC1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide
SMILESNCc1cc(F)cc(N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C13H18FN3O/c14-11-5-9(8-15)6-12(7-11)17-3-1-10(2-4-17)13(16)18/h5-7,10H,1-4,8,15H2,(H2,16,18)
InChIKeyJKRKTRJOKZSERE-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.99
Rot. Bonds3

About 1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide

1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide (PubChem CID 102813342) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide
PubChem CID102813342
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide
SMILESNCc1cc(F)cc(N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C13H18FN3O/c14-11-5-9(8-15)6-12(7-11)17-3-1-10(2-4-17)13(16)18/h5-7,10H,1-4,8,15H2,(H2,16,18)
InChIKeyJKRKTRJOKZSERE-UHFFFAOYSA-N
XLogP0.99
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide
CID 106530749
(3-fluoro-5-pyrrolidin-1-ylphenyl)methanamine
CID 102813283
1-[3-(aminomethyl)-5-bromophenyl]pyrrolidine-3-carboxamide
CID 114081728
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
[3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 102813357
[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine
CID 102814167
1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide
CID 43312913
4-[3-(aminomethyl)-5-fluorophenyl]piperazin-2-one
CID 102813310
2-[3-fluoro-5-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanamine
CID 106532877
2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide
CID 54988921
2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 106532762
1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 175878823

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide (CID 102813342) is 1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide is NCc1cc(F)cc(N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide?
The InChIKey is JKRKTRJOKZSERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-11-5-9(8-15)6-12(7-11)17-3-1-10(2-4-17)13(16)18/h5-7,10H,1-4,8,15H2,(H2,16,18).
What are the key properties of 1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide?
1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide is sourced from PubChem (CID 102813342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).