1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one

C16H30N2O — CID 81044719

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)N1C(C)CCCC1C)C1CCCNC1
InChIInChI=1S/C16H30N2O/c1-12(15-8-5-9-17-11-15)10-16(19)18-13(2)6-4-7-14(18)3/h12-15,17H,4-11H2,1-3H3
InChIKeyJKILHAZOILWPHA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one

1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one (PubChem CID 81044719) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
PubChem CID81044719
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)N1C(C)CCCC1C)C1CCCNC1
InChIInChI=1S/C16H30N2O/c1-12(15-8-5-9-17-11-15)10-16(19)18-13(2)6-4-7-14(18)3/h12-15,17H,4-11H2,1-3H3
InChIKeyJKILHAZOILWPHA-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671933
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119671942
1-(2,6-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119792024
1-(2-methylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119785155
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one (CID 81044719) is 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one is CC(CC(=O)N1C(C)CCCC1C)C1CCCNC1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
The InChIKey is JKILHAZOILWPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(15-8-5-9-17-11-15)10-16(19)18-13(2)6-4-7-14(18)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 81044719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).