1,2,2-trimethylpiperidin-4-one;hydrochloride

C8H16ClNO — CID 134691087

IUPAC1,2,2-trimethylpiperidin-4-one;hydrochloride
SMILESCN1CCC(=O)CC1(C)C.Cl
InChIInChI=1S/C8H15NO.ClH/c1-8(2)6-7(10)4-5-9(8)3;/h4-6H2,1-3H3;1H
InChIKeyFJYOOMRORXYLBO-UHFFFAOYSA-N
MW177.68 g/mol
LogP1.48
Rot. Bonds

About 1,2,2-trimethylpiperidin-4-one;hydrochloride

1,2,2-trimethylpiperidin-4-one;hydrochloride (PubChem CID 134691087) has the molecular formula C8H16ClNO and a molecular weight of 177.68 g/mol. Its IUPAC name is 1,2,2-trimethylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name1,2,2-trimethylpiperidin-4-one;hydrochloride
PubChem CID134691087
Molecular FormulaC8H16ClNO
Molecular Weight177.68 g/mol
Exact Mass177.09
IUPAC Name1,2,2-trimethylpiperidin-4-one;hydrochloride
SMILESCN1CCC(=O)CC1(C)C.Cl
InChIInChI=1S/C8H15NO.ClH/c1-8(2)6-7(10)4-5-9(8)3;/h4-6H2,1-3H3;1H
InChIKeyFJYOOMRORXYLBO-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.68
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylpiperidin-4-one;hydrochloride?
The IUPAC name of 1,2,2-trimethylpiperidin-4-one;hydrochloride (CID 134691087) is 1,2,2-trimethylpiperidin-4-one;hydrochloride.
What is the SMILES notation for 1,2,2-trimethylpiperidin-4-one;hydrochloride?
The canonical SMILES for 1,2,2-trimethylpiperidin-4-one;hydrochloride is CN1CCC(=O)CC1(C)C.Cl.
What is the InChIKey of 1,2,2-trimethylpiperidin-4-one;hydrochloride?
The InChIKey is FJYOOMRORXYLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-8(2)6-7(10)4-5-9(8)3;/h4-6H2,1-3H3;1H.
What are the key properties of 1,2,2-trimethylpiperidin-4-one;hydrochloride?
1,2,2-trimethylpiperidin-4-one;hydrochloride has a molecular weight of 177.68 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 134691087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).