1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride

C8H18Cl2N2O — CID 75525564

IUPAC1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride
SMILESCC(CN)N1CCCCC1=O.Cl.Cl
InChIInChI=1S/C8H16N2O.2ClH/c1-7(6-9)10-5-3-2-4-8(10)11;;/h7H,2-6,9H2,1H3;2*1H
InChIKeyAJLGSRAEBNEGQA-UHFFFAOYSA-N
MW229.15 g/mol
LogP1.19
Rot. Bonds2

About 1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride

1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride (PubChem CID 75525564) has the molecular formula C8H18Cl2N2O and a molecular weight of 229.15 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride
PubChem CID75525564
Molecular FormulaC8H18Cl2N2O
Molecular Weight229.15 g/mol
Exact Mass228.08
IUPAC Name1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride
SMILESCC(CN)N1CCCCC1=O.Cl.Cl
InChIInChI=1S/C8H16N2O.2ClH/c1-7(6-9)10-5-3-2-4-8(10)11;;/h7H,2-6,9H2,1H3;2*1H
InChIKeyAJLGSRAEBNEGQA-UHFFFAOYSA-N
XLogP1.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride?
The IUPAC name of 1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride (CID 75525564) is 1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride.
What is the SMILES notation for 1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride?
The canonical SMILES for 1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride is CC(CN)N1CCCCC1=O.Cl.Cl.
What is the InChIKey of 1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride?
The InChIKey is AJLGSRAEBNEGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.2ClH/c1-7(6-9)10-5-3-2-4-8(10)11;;/h7H,2-6,9H2,1H3;2*1H.
What are the key properties of 1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride?
1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride has a molecular weight of 229.15 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)piperidin-2-one;dihydrochloride is sourced from PubChem (CID 75525564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).