1-ethyl-5-methylpiperidin-3-one;hydrochloride

C8H16ClNO — CID 13013531

IUPAC1-ethyl-5-methylpiperidin-3-one;hydrochloride
SMILESCCN1CC(=O)CC(C)C1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-3-9-5-7(2)4-8(10)6-9;/h7H,3-6H2,1-2H3;1H
InChIKeyHBCSNMDNRDVJKP-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.34
Rot. Bonds1

About 1-ethyl-5-methylpiperidin-3-one;hydrochloride

1-ethyl-5-methylpiperidin-3-one;hydrochloride (PubChem CID 13013531) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 1-ethyl-5-methylpiperidin-3-one;hydrochloride.

Molecular Properties

Compound Name1-ethyl-5-methylpiperidin-3-one;hydrochloride
PubChem CID13013531
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name1-ethyl-5-methylpiperidin-3-one;hydrochloride
SMILESCCN1CC(=O)CC(C)C1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-3-9-5-7(2)4-8(10)6-9;/h7H,3-6H2,1-2H3;1H
InChIKeyHBCSNMDNRDVJKP-UHFFFAOYSA-N
XLogP1.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylpiperidin-3-one;hydrochloride?
The IUPAC name of 1-ethyl-5-methylpiperidin-3-one;hydrochloride (CID 13013531) is 1-ethyl-5-methylpiperidin-3-one;hydrochloride.
What is the SMILES notation for 1-ethyl-5-methylpiperidin-3-one;hydrochloride?
The canonical SMILES for 1-ethyl-5-methylpiperidin-3-one;hydrochloride is CCN1CC(=O)CC(C)C1.Cl.
What is the InChIKey of 1-ethyl-5-methylpiperidin-3-one;hydrochloride?
The InChIKey is HBCSNMDNRDVJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-3-9-5-7(2)4-8(10)6-9;/h7H,3-6H2,1-2H3;1H.
What are the key properties of 1-ethyl-5-methylpiperidin-3-one;hydrochloride?
1-ethyl-5-methylpiperidin-3-one;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylpiperidin-3-one;hydrochloride is sourced from PubChem (CID 13013531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).