[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone

C11H16N4O — CID 104671337

IUPAC[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESNCC1CCCCN1C(=O)c1ccnnc1
InChIInChI=1S/C11H16N4O/c12-7-10-3-1-2-6-15(10)11(16)9-4-5-13-14-8-9/h4-5,8,10H,1-3,6-7,12H2
InChIKeyDUJPELCMWQNNNO-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.43
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone

[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 104671337) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID104671337
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESNCC1CCCCN1C(=O)c1ccnnc1
InChIInChI=1S/C11H16N4O/c12-7-10-3-1-2-6-15(10)11(16)9-4-5-13-14-8-9/h4-5,8,10H,1-3,6-7,12H2
InChIKeyDUJPELCMWQNNNO-UHFFFAOYSA-N
XLogP0.43
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(pyridazine-4-carbonyl)piperidin-2-yl]acetic acid
CID 112640151
[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 113439400
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)azepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 116639948
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 115312082
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone (CID 104671337) is [2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone is NCC1CCCCN1C(=O)c1ccnnc1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is DUJPELCMWQNNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-7-10-3-1-2-6-15(10)11(16)9-4-5-13-14-8-9/h4-5,8,10H,1-3,6-7,12H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone?
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 220.28 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 104671337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).