[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone

C14H22N4O — CID 104671402

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCCC2C(C)N)c(C)nn1
InChIInChI=1S/C14H22N4O/c1-9-8-12(11(3)17-16-9)14(19)18-7-5-4-6-13(18)10(2)15/h8,10,13H,4-7,15H2,1-3H3
InChIKeyHWKHBDPMKGBWPR-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.44
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone (PubChem CID 104671402) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
PubChem CID104671402
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCCC2C(C)N)c(C)nn1
InChIInChI=1S/C14H22N4O/c1-9-8-12(11(3)17-16-9)14(19)18-7-5-4-6-13(18)10(2)15/h8,10,13H,4-7,15H2,1-3H3
InChIKeyHWKHBDPMKGBWPR-UHFFFAOYSA-N
XLogP1.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
1-[1-(3,6-dimethylpyridazine-4-carbonyl)azepan-2-yl]propan-2-one
CID 104670553
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(2-bromo-5-methylthiophen-3-yl)methanone
CID 125134854
[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119436418
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
(3,6-dimethylpyridazin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104671185
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 119436569
[2-(1-aminoethyl)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119436502
[2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119434902
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 55168583

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone (CID 104671402) is [2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone is Cc1cc(C(=O)N2CCCCC2C(C)N)c(C)nn1.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone?
The InChIKey is HWKHBDPMKGBWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-8-12(11(3)17-16-9)14(19)18-7-5-4-6-13(18)10(2)15/h8,10,13H,4-7,15H2,1-3H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone is sourced from PubChem (CID 104671402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).