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

C12H22Cl2N4O — CID 119464816

IUPAC1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCCC(CN)C1)n1cccn1.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-10(16-7-3-5-14-16)12(17)15-6-2-4-11(8-13)9-15;;/h3,5,7,10-11H,2,4,6,8-9,13H2,1H3;2*1H
InChIKeyANDYVBUWGRORJV-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.49
Rot. Bonds3

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

1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride (PubChem CID 119464816) has the molecular formula C12H22Cl2N4O and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
PubChem CID119464816
Molecular FormulaC12H22Cl2N4O
Molecular Weight309.24 g/mol
Exact Mass308.12
IUPAC Name1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCCC(CN)C1)n1cccn1.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-10(16-7-3-5-14-16)12(17)15-6-2-4-11(8-13)9-15;;/h3,5,7,10-11H,2,4,6,8-9,13H2,1H3;2*1H
InChIKeyANDYVBUWGRORJV-UHFFFAOYSA-N
XLogP1.49
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120727627
1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119592942
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 113268931
3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid
CID 81042767
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 112630605
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 80552288
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 80504803
1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride
CID 119465088
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 103352188
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
1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid
CID 129493584

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride (CID 119464816) is 1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride is CC(C(=O)N1CCCC(CN)C1)n1cccn1.Cl.Cl.
What is the InChIKey of 1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride?
The InChIKey is ANDYVBUWGRORJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.2ClH/c1-10(16-7-3-5-14-16)12(17)15-6-2-4-11(8-13)9-15;;/h3,5,7,10-11H,2,4,6,8-9,13H2,1H3;2*1H.
What are the key properties of 1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride?
1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119464816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).