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

C13H24Cl2N4O — CID 120727627

IUPAC1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCCC(CCN)C1)n1cccn1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-11(17-9-3-7-15-17)13(18)16-8-2-4-12(10-16)5-6-14;;/h3,7,9,11-12H,2,4-6,8,10,14H2,1H3;2*1H
InChIKeyGUKFBDHINQFPKH-UHFFFAOYSA-N
MW323.27 g/mol
LogP1.88
Rot. Bonds4

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

1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride (PubChem CID 120727627) has the molecular formula C13H24Cl2N4O and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
PubChem CID120727627
Molecular FormulaC13H24Cl2N4O
Molecular Weight323.27 g/mol
Exact Mass322.13
IUPAC Name1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCCC(CCN)C1)n1cccn1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-11(17-9-3-7-15-17)13(18)16-8-2-4-12(10-16)5-6-14;;/h3,7,9,11-12H,2,4-6,8,10,14H2,1H3;2*1H
InChIKeyGUKFBDHINQFPKH-UHFFFAOYSA-N
XLogP1.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119464816
1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119592942
3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid
CID 81042767
2-[3-(2-aminoethyl)piperidin-1-yl]-1-(azepan-1-yl)propan-1-one;hydrochloride
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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-(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
2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121165072
[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120727378

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride (CID 120727627) is 1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride is CC(C(=O)N1CCCC(CCN)C1)n1cccn1.Cl.Cl.
What is the InChIKey of 1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride?
The InChIKey is GUKFBDHINQFPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.2ClH/c1-11(17-9-3-7-15-17)13(18)16-8-2-4-12(10-16)5-6-14;;/h3,7,9,11-12H,2,4-6,8,10,14H2,1H3;2*1H.
What are the key properties of 1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride?
1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride has a molecular weight of 323.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120727627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).