1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride

C13H24Cl2N4O — CID 119592942

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
SMILESCC(N)C1CCCN(C(=O)C(C)n2cccn2)C1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-10(14)12-5-3-7-16(9-12)13(18)11(2)17-8-4-6-15-17;;/h4,6,8,10-12H,3,5,7,9,14H2,1-2H3;2*1H
InChIKeyWZEBAPRYEUAOLG-UHFFFAOYSA-N
MW323.27 g/mol
LogP1.87
Rot. Bonds3

About 1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride

1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride (PubChem CID 119592942) has the molecular formula C13H24Cl2N4O and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
PubChem CID119592942
Molecular FormulaC13H24Cl2N4O
Molecular Weight323.27 g/mol
Exact Mass322.13
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
SMILESCC(N)C1CCCN(C(=O)C(C)n2cccn2)C1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-10(14)12-5-3-7-16(9-12)13(18)11(2)17-8-4-6-15-17;;/h4,6,8,10-12H,3,5,7,9,14H2,1-2H3;2*1H
InChIKeyWZEBAPRYEUAOLG-UHFFFAOYSA-N
XLogP1.87
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 112630605
3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid
CID 81042767
1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119464816
1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120727627
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one;hydrochloride
CID 119594099
[3-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119594758
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyrazol-1-ylpropan-1-one
CID 81426063
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119592618
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 80552288
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 124689004
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120818010

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride (CID 119592942) is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride is CC(N)C1CCCN(C(=O)C(C)n2cccn2)C1.Cl.Cl.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride?
The InChIKey is WZEBAPRYEUAOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.2ClH/c1-10(14)12-5-3-7-16(9-12)13(18)11(2)17-8-4-6-15-17;;/h4,6,8,10-12H,3,5,7,9,14H2,1-2H3;2*1H.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride?
1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride has a molecular weight of 323.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119592942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).