1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone

C11H19N5O — CID 81487187

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
SMILESCC(N)C1CCCN(C(=O)Cn2ccnn2)C1
InChIInChI=1S/C11H19N5O/c1-9(12)10-3-2-5-15(7-10)11(17)8-16-6-4-13-14-16/h4,6,9-10H,2-3,5,7-8,12H2,1H3
InChIKeyYFBVACPWVJLGAF-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.14
Rot. Bonds3

About 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone

1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone (PubChem CID 81487187) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
PubChem CID81487187
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
SMILESCC(N)C1CCCN(C(=O)Cn2ccnn2)C1
InChIInChI=1S/C11H19N5O/c1-9(12)10-3-2-5-15(7-10)11(17)8-16-6-4-13-14-16/h4,6,9-10H,2-3,5,7-8,12H2,1H3
InChIKeyYFBVACPWVJLGAF-UHFFFAOYSA-N
XLogP-0.14
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81479505
3-amino-1-[3-(triazol-1-ylmethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120873415
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 127415975
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119592997
1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one
CID 119596793
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone;dihydrochloride
CID 119592882
2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 119596061
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103807110
ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate
CID 79806253
1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
CID 119377867
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 112630745

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone (CID 81487187) is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone is CC(N)C1CCCN(C(=O)Cn2ccnn2)C1.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
The InChIKey is YFBVACPWVJLGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9(12)10-3-2-5-15(7-10)11(17)8-16-6-4-13-14-16/h4,6,9-10H,2-3,5,7-8,12H2,1H3.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone has a molecular weight of 237.31 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone is sourced from PubChem (CID 81487187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).