1-methylpiperidin-3-one;hydrochloride

C6H12ClNO — CID 12629791

IUPAC1-methylpiperidin-3-one;hydrochloride
SMILESCN1CCCC(=O)C1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-7-4-2-3-6(8)5-7;/h2-5H2,1H3;1H
InChIKeyBLRLPMIRFPMIFG-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.70
Rot. Bonds

About 1-methylpiperidin-3-one;hydrochloride

1-methylpiperidin-3-one;hydrochloride (PubChem CID 12629791) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 1-methylpiperidin-3-one;hydrochloride.

Molecular Properties

Compound Name1-methylpiperidin-3-one;hydrochloride
PubChem CID12629791
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name1-methylpiperidin-3-one;hydrochloride
SMILESCN1CCCC(=O)C1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-7-4-2-3-6(8)5-7;/h2-5H2,1H3;1H
InChIKeyBLRLPMIRFPMIFG-UHFFFAOYSA-N
XLogP0.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-3-one;hydrochloride?
The IUPAC name of 1-methylpiperidin-3-one;hydrochloride (CID 12629791) is 1-methylpiperidin-3-one;hydrochloride.
What is the SMILES notation for 1-methylpiperidin-3-one;hydrochloride?
The canonical SMILES for 1-methylpiperidin-3-one;hydrochloride is CN1CCCC(=O)C1.Cl.
What is the InChIKey of 1-methylpiperidin-3-one;hydrochloride?
The InChIKey is BLRLPMIRFPMIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-7-4-2-3-6(8)5-7;/h2-5H2,1H3;1H.
What are the key properties of 1-methylpiperidin-3-one;hydrochloride?
1-methylpiperidin-3-one;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-3-one;hydrochloride is sourced from PubChem (CID 12629791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).