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

C11H15FN4O — CID 104637984

IUPAC[2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESNCC1CNCCN1C(=O)c1ccc(F)cn1
InChIInChI=1S/C11H15FN4O/c12-8-1-2-10(15-6-8)11(17)16-4-3-14-7-9(16)5-13/h1-2,6,9,14H,3-5,7,13H2
InChIKeyOTBMGMJSQPDDOS-UHFFFAOYSA-N
MW238.27 g/mol
LogP-0.41
Rot. Bonds2

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

[2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone (PubChem CID 104637984) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is [2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
PubChem CID104637984
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name[2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESNCC1CNCCN1C(=O)c1ccc(F)cn1
InChIInChI=1S/C11H15FN4O/c12-8-1-2-10(15-6-8)11(17)16-4-3-14-7-9(16)5-13/h1-2,6,9,14H,3-5,7,13H2
InChIKeyOTBMGMJSQPDDOS-UHFFFAOYSA-N
XLogP-0.41
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674411
[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 113436394
(5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 166250598
[2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone
CID 104614004
[2-(aminomethyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 113415445
3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone
CID 113415473
(2,5-dimethylpiperazin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 104639289
(5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 104639225
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
(4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 113435999
[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 120735841

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of [2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone (CID 104637984) is [2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone is NCC1CNCCN1C(=O)c1ccc(F)cn1.
What is the InChIKey of [2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is OTBMGMJSQPDDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c12-8-1-2-10(15-6-8)11(17)16-4-3-14-7-9(16)5-13/h1-2,6,9,14H,3-5,7,13H2.
What are the key properties of [2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
[2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 238.27 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 104637984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).