1-(4-aminopiperidin-1-yl)ethanone;hydrochloride

C7H15ClN2O — CID 17221642

IUPAC1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-6(10)9-4-2-7(8)3-5-9;/h7H,2-5,8H2,1H3;1H
InChIKeyAWKOGAFRLOPNOP-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.38
Rot. Bonds

About 1-(4-aminopiperidin-1-yl)ethanone;hydrochloride

1-(4-aminopiperidin-1-yl)ethanone;hydrochloride (PubChem CID 17221642) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
PubChem CID17221642
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-6(10)9-4-2-7(8)3-5-9;/h7H,2-5,8H2,1H3;1H
InChIKeyAWKOGAFRLOPNOP-UHFFFAOYSA-N
XLogP0.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.38
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)ethanone;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)ethanone;hydrochloride (CID 17221642) is 1-(4-aminopiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)ethanone;hydrochloride is CC(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is AWKOGAFRLOPNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-6(10)9-4-2-7(8)3-5-9;/h7H,2-5,8H2,1H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)ethanone;hydrochloride?
1-(4-aminopiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.38, 0 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)ethanone;hydrochloride is sourced from PubChem (CID 17221642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).