1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride

C9H19ClN2O — CID 17221643

IUPAC1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7(2)9(12)11-5-3-8(10)4-6-11;/h7-8H,3-6,10H2,1-2H3;1H
InChIKeyGEDFPJVWJXSTGK-UHFFFAOYSA-N
MW206.72 g/mol
LogP1.01
Rot. Bonds1

About 1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride

1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride (PubChem CID 17221643) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
PubChem CID17221643
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7(2)9(12)11-5-3-8(10)4-6-11;/h7-8H,3-6,10H2,1-2H3;1H
InChIKeyGEDFPJVWJXSTGK-UHFFFAOYSA-N
XLogP1.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride (CID 17221643) is 1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride is CC(C)C(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride?
The InChIKey is GEDFPJVWJXSTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-7(2)9(12)11-5-3-8(10)4-6-11;/h7-8H,3-6,10H2,1-2H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 17221643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).