1-(2-aminoethyl)piperidin-3-one;hydrochloride

C7H15ClN2O — CID 115015277

IUPAC1-(2-aminoethyl)piperidin-3-one;hydrochloride
SMILESCl.NCCN1CCCC(=O)C1
InChIInChI=1S/C7H14N2O.ClH/c8-3-5-9-4-1-2-7(10)6-9;/h1-6,8H2;1H
InChIKeyZYJVVSSAOPSUIE-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.03
Rot. Bonds2

About 1-(2-aminoethyl)piperidin-3-one;hydrochloride

1-(2-aminoethyl)piperidin-3-one;hydrochloride (PubChem CID 115015277) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 1-(2-aminoethyl)piperidin-3-one;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)piperidin-3-one;hydrochloride
PubChem CID115015277
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name1-(2-aminoethyl)piperidin-3-one;hydrochloride
SMILESCl.NCCN1CCCC(=O)C1
InChIInChI=1S/C7H14N2O.ClH/c8-3-5-9-4-1-2-7(10)6-9;/h1-6,8H2;1H
InChIKeyZYJVVSSAOPSUIE-UHFFFAOYSA-N
XLogP0.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)piperidin-3-one;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)piperidin-3-one;hydrochloride (CID 115015277) is 1-(2-aminoethyl)piperidin-3-one;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)piperidin-3-one;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)piperidin-3-one;hydrochloride is Cl.NCCN1CCCC(=O)C1.
What is the InChIKey of 1-(2-aminoethyl)piperidin-3-one;hydrochloride?
The InChIKey is ZYJVVSSAOPSUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c8-3-5-9-4-1-2-7(10)6-9;/h1-6,8H2;1H.
What are the key properties of 1-(2-aminoethyl)piperidin-3-one;hydrochloride?
1-(2-aminoethyl)piperidin-3-one;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)piperidin-3-one;hydrochloride is sourced from PubChem (CID 115015277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).