[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone

C12H16FN3O — CID 115736898

IUPAC[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESNCC1CCCCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C12H16FN3O/c13-10-5-9(7-15-8-10)12(17)16-4-2-1-3-11(16)6-14/h5,7-8,11H,1-4,6,14H2
InChIKeyFLBNZYRACWEEQW-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.17
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone

[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone (PubChem CID 115736898) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
PubChem CID115736898
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESNCC1CCCCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C12H16FN3O/c13-10-5-9(7-15-8-10)12(17)16-4-2-1-3-11(16)6-14/h5,7-8,11H,1-4,6,14H2
InChIKeyFLBNZYRACWEEQW-UHFFFAOYSA-N
XLogP1.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103860842
3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 104785546
[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 115312082
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
(5-fluoro-3-pyridinyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649427
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 115900329
[2-(aminomethyl)azepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 116639948
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone (CID 115736898) is [2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone is NCC1CCCCN1C(=O)c1cncc(F)c1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is FLBNZYRACWEEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-5-9(7-15-8-10)12(17)16-4-2-1-3-11(16)6-14/h5,7-8,11H,1-4,6,14H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 237.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 115736898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).