1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one

C16H30N2O — CID 119671942

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
SMILESCC(CC(=O)N1C(C)CCCC1C)C1CCNCC1
InChIInChI=1S/C16H30N2O/c1-12(15-7-9-17-10-8-15)11-16(19)18-13(2)5-4-6-14(18)3/h12-15,17H,4-11H2,1-3H3
InChIKeyPTSAQQGNZPGYAJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one

1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one (PubChem CID 119671942) 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-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
PubChem CID119671942
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
SMILESCC(CC(=O)N1C(C)CCCC1C)C1CCNCC1
InChIInChI=1S/C16H30N2O/c1-12(15-7-9-17-10-8-15)11-16(19)18-13(2)5-4-6-14(18)3/h12-15,17H,4-11H2,1-3H3
InChIKeyPTSAQQGNZPGYAJ-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
CID 81044719
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671933
1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119784917
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-(2,3-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119764071
3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
CID 119876029
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
CID 29008935
1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119880119
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119837290
1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119794906
1-(2-methylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119698730

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one (CID 119671942) is 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one is CC(CC(=O)N1C(C)CCCC1C)C1CCNCC1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one?
The InChIKey is PTSAQQGNZPGYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(15-7-9-17-10-8-15)11-16(19)18-13(2)5-4-6-14(18)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one?
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-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-4-ylbutan-1-one is sourced from PubChem (CID 119671942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).