3-methylpiperidin-4-one;hydrochloride

C6H12ClNO — CID 22728864

IUPAC3-methylpiperidin-4-one;hydrochloride
SMILESCC1CNCCC1=O.Cl
InChIInChI=1S/C6H11NO.ClH/c1-5-4-7-3-2-6(5)8;/h5,7H,2-4H2,1H3;1H
InChIKeyGCQBLKABRBKHLY-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.61
Rot. Bonds

About 3-methylpiperidin-4-one;hydrochloride

3-methylpiperidin-4-one;hydrochloride (PubChem CID 22728864) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 3-methylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-methylpiperidin-4-one;hydrochloride
PubChem CID22728864
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name3-methylpiperidin-4-one;hydrochloride
SMILESCC1CNCCC1=O.Cl
InChIInChI=1S/C6H11NO.ClH/c1-5-4-7-3-2-6(5)8;/h5,7H,2-4H2,1H3;1H
InChIKeyGCQBLKABRBKHLY-UHFFFAOYSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylpiperidin-4-one;hydrochloride?
The IUPAC name of 3-methylpiperidin-4-one;hydrochloride (CID 22728864) is 3-methylpiperidin-4-one;hydrochloride.
What is the SMILES notation for 3-methylpiperidin-4-one;hydrochloride?
The canonical SMILES for 3-methylpiperidin-4-one;hydrochloride is CC1CNCCC1=O.Cl.
What is the InChIKey of 3-methylpiperidin-4-one;hydrochloride?
The InChIKey is GCQBLKABRBKHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-5-4-7-3-2-6(5)8;/h5,7H,2-4H2,1H3;1H.
What are the key properties of 3-methylpiperidin-4-one;hydrochloride?
3-methylpiperidin-4-one;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 22728864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).