1,6-di(propan-2-yl)piperidin-2-one;ethane

C13H27NO — CID 167704362

IUPAC1,6-di(propan-2-yl)piperidin-2-one;ethane
SMILESCC.CC(C)C1CCCC(=O)N1C(C)C
InChIInChI=1S/C11H21NO.C2H6/c1-8(2)10-6-5-7-11(13)12(10)9(3)4;1-2/h8-10H,5-7H2,1-4H3;1-2H3
InChIKeyYWJVXVWUYSSCRW-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.46
Rot. Bonds2

About 1,6-di(propan-2-yl)piperidin-2-one;ethane

1,6-di(propan-2-yl)piperidin-2-one;ethane (PubChem CID 167704362) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1,6-di(propan-2-yl)piperidin-2-one;ethane.

Molecular Properties

Compound Name1,6-di(propan-2-yl)piperidin-2-one;ethane
PubChem CID167704362
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1,6-di(propan-2-yl)piperidin-2-one;ethane
SMILESCC.CC(C)C1CCCC(=O)N1C(C)C
InChIInChI=1S/C11H21NO.C2H6/c1-8(2)10-6-5-7-11(13)12(10)9(3)4;1-2/h8-10H,5-7H2,1-4H3;1-2H3
InChIKeyYWJVXVWUYSSCRW-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-6-propan-2-ylpiperidin-2-one
CID 139951302
1-(2-hydroxyethyl)-7-propan-2-ylazepan-2-one
CID 10679504
(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one
CID 152785079
(5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
CID 178109240
7-ethyl-1-methyl-6-propan-2-ylazepan-2-one
CID 155200892
2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one
CID 79568823
6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one
CID 115529149
3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-one
CID 79619514
6-amino-7-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-2-one
CID 66116437
(5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one
CID 58465109
ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 156829951
2,3,4-tri(propan-2-yl)-1,4-oxazepan-5-one
CID 153310408

Frequently Asked Questions

What is the IUPAC name of 1,6-di(propan-2-yl)piperidin-2-one;ethane?
The IUPAC name of 1,6-di(propan-2-yl)piperidin-2-one;ethane (CID 167704362) is 1,6-di(propan-2-yl)piperidin-2-one;ethane.
What is the SMILES notation for 1,6-di(propan-2-yl)piperidin-2-one;ethane?
The canonical SMILES for 1,6-di(propan-2-yl)piperidin-2-one;ethane is CC.CC(C)C1CCCC(=O)N1C(C)C.
What is the InChIKey of 1,6-di(propan-2-yl)piperidin-2-one;ethane?
The InChIKey is YWJVXVWUYSSCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-8(2)10-6-5-7-11(13)12(10)9(3)4;1-2/h8-10H,5-7H2,1-4H3;1-2H3.
What are the key properties of 1,6-di(propan-2-yl)piperidin-2-one;ethane?
1,6-di(propan-2-yl)piperidin-2-one;ethane has a molecular weight of 213.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(propan-2-yl)piperidin-2-one;ethane is sourced from PubChem (CID 167704362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).