1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone

C12H20N4O — CID 63255447

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCC(N)C1CCCCN1C(=O)Cn1cccn1
InChIInChI=1S/C12H20N4O/c1-10(13)11-5-2-3-8-16(11)12(17)9-15-7-4-6-14-15/h4,6-7,10-11H,2-3,5,8-9,13H2,1H3
InChIKeyFBPGEIITILMAOW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.61
Rot. Bonds3

About 1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone

1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 63255447) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID63255447
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCC(N)C1CCCCN1C(=O)Cn1cccn1
InChIInChI=1S/C12H20N4O/c1-10(13)11-5-2-3-8-16(11)12(17)9-15-7-4-6-14-15/h4,6-7,10-11H,2-3,5,8-9,13H2,1H3
InChIKeyFBPGEIITILMAOW-UHFFFAOYSA-N
XLogP0.61
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone;hydrochloride
CID 119436366
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone
CID 42886235
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 114875604
3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid
CID 94373970
1-[2-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119435731
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 61410629
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one;hydrochloride
CID 119434511
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 63255198
1-[2-(1-aminoethyl)piperidin-1-yl]but-3-en-1-one
CID 63254842
1-[2-(1-aminoethyl)piperidin-1-yl]-2-propylsulfanylethanone;hydrochloride
CID 119435761
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 119435273

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone (CID 63255447) is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone is CC(N)C1CCCCN1C(=O)Cn1cccn1.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is FBPGEIITILMAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(13)11-5-2-3-8-16(11)12(17)9-15-7-4-6-14-15/h4,6-7,10-11H,2-3,5,8-9,13H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 236.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 63255447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).