1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride

C11H20Cl2N4O — CID 119592480

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
SMILESCC1CN(C(=O)Cn2cccn2)CCC1N.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-9-7-14(6-3-10(9)12)11(16)8-15-5-2-4-13-15;;/h2,4-5,9-10H,3,6-8,12H2,1H3;2*1H
InChIKeyBRPJHGLUNLYDEO-UHFFFAOYSA-N
MW295.21 g/mol
LogP0.92
Rot. Bonds2

About 1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride

1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride (PubChem CID 119592480) has the molecular formula C11H20Cl2N4O and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
PubChem CID119592480
Molecular FormulaC11H20Cl2N4O
Molecular Weight295.21 g/mol
Exact Mass294.10
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
SMILESCC1CN(C(=O)Cn2cccn2)CCC1N.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-9-7-14(6-3-10(9)12)11(16)8-15-5-2-4-13-15;;/h2,4-5,9-10H,3,6-8,12H2,1H3;2*1H
InChIKeyBRPJHGLUNLYDEO-UHFFFAOYSA-N
XLogP0.92
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119380216
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 62349582
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 63263322
1-[3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110246532
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 79868676
1-(2-pyrazol-1-ylacetyl)piperidine-4-carbohydrazide
CID 63573929
1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119410423
(2R)-1-propan-2-yl-4-(2-pyrazol-1-ylacetyl)piperazine-2-carboxamide
CID 124999570
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 119260936
1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
CID 119592411
1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 81487357

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride (CID 119592480) is 1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride is CC1CN(C(=O)Cn2cccn2)CCC1N.Cl.Cl.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride?
The InChIKey is BRPJHGLUNLYDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.2ClH/c1-9-7-14(6-3-10(9)12)11(16)8-15-5-2-4-13-15;;/h2,4-5,9-10H,3,6-8,12H2,1H3;2*1H.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride?
1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride is sourced from PubChem (CID 119592480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).