1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride

C11H21ClN2O — CID 68952939

IUPAC1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride
SMILESCC1(N2CCC(=O)CC2)CCNCC1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-11(4-6-12-7-5-11)13-8-2-10(14)3-9-13;/h12H,2-9H2,1H3;1H
InChIKeyUSCLKXIKWZSPTP-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.22
Rot. Bonds1

About 1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride

1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride (PubChem CID 68952939) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride
PubChem CID68952939
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride
SMILESCC1(N2CCC(=O)CC2)CCNCC1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-11(4-6-12-7-5-11)13-8-2-10(14)3-9-13;/h12H,2-9H2,1H3;1H
InChIKeyUSCLKXIKWZSPTP-UHFFFAOYSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(Trifluoromethyl)piperidin-4-yl]piperidin-4-one
CID 166940621
[1,4'-Bipiperidin]-4-one
CID 53488018
1-(1,4-Dimethylpiperidin-4-yl)piperidin-4-one
CID 57553444
1-(4-Methylpiperidin-4-yl)piperidin-4-one
CID 57692024
4-Amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one
CID 67754658
Piperidin-4-one;2,2,6,6-tetramethylpiperidine
CID 67803331
(3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-4-one
CID 70275119
9-Methyl-1,9-diazaspiro[5.5]undecan-4-one
CID 82407631
CID 89266323
CID 89266323
4-[(1-Tert-butylpiperidin-4-yl)amino]butan-2-one
CID 117684714
1-[1-(Piperidin-3-ylmethyl)piperidin-4-yl]ethanone
CID 123901169
1-(1-Piperidin-4-ylpiperidin-4-yl)ethanone
CID 154680876

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride?
The IUPAC name of 1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride (CID 68952939) is 1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride.
What is the SMILES notation for 1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride?
The canonical SMILES for 1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride is CC1(N2CCC(=O)CC2)CCNCC1.Cl.
What is the InChIKey of 1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride?
The InChIKey is USCLKXIKWZSPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-11(4-6-12-7-5-11)13-8-2-10(14)3-9-13;/h12H,2-9H2,1H3;1H.
What are the key properties of 1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride?
1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-4-yl)piperidin-4-one;hydrochloride is sourced from PubChem (CID 68952939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).