1-(2-ethylhexyl)-2-methylpiperidin-4-one

C14H27NO — CID 107815386

IUPAC1-(2-ethylhexyl)-2-methylpiperidin-4-one
SMILESCCCCC(CC)CN1CCC(=O)CC1C
InChIInChI=1S/C14H27NO/c1-4-6-7-13(5-2)11-15-9-8-14(16)10-12(15)3/h12-13H,4-11H2,1-3H3
InChIKeyHYHSBSADFDCLII-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds6

About 1-(2-ethylhexyl)-2-methylpiperidin-4-one

1-(2-ethylhexyl)-2-methylpiperidin-4-one (PubChem CID 107815386) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-2-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(2-ethylhexyl)-2-methylpiperidin-4-one
PubChem CID107815386
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2-ethylhexyl)-2-methylpiperidin-4-one
SMILESCCCCC(CC)CN1CCC(=O)CC1C
InChIInChI=1S/C14H27NO/c1-4-6-7-13(5-2)11-15-9-8-14(16)10-12(15)3/h12-13H,4-11H2,1-3H3
InChIKeyHYHSBSADFDCLII-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)azepan-2-one
CID 15001204
[1-(2-ethylhexyl)piperidin-2-yl]methanol
CID 62021752
3-amino-1-(2-ethylhexyl)azetidin-2-one
CID 107819375
1-(2-ethylhexyl)imidazolidin-2-one
CID 107819225
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900
1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid
CID 114426636
1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine
CID 103576746
2-(chloromethyl)-4-(2-ethylhexyl)-5-methylmorpholine
CID 81210661
4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one
CID 168683622
1-heptan-3-ylpiperidin-4-one
CID 22937465
1-(2-ethylhexyl)-3-methyl-1,4-diazepane
CID 64859197
1-(2-ethylhexyl)-3-methyl-1,3-diazinane-2,4,6-trione
CID 21307382

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-2-methylpiperidin-4-one?
The IUPAC name of 1-(2-ethylhexyl)-2-methylpiperidin-4-one (CID 107815386) is 1-(2-ethylhexyl)-2-methylpiperidin-4-one.
What is the SMILES notation for 1-(2-ethylhexyl)-2-methylpiperidin-4-one?
The canonical SMILES for 1-(2-ethylhexyl)-2-methylpiperidin-4-one is CCCCC(CC)CN1CCC(=O)CC1C.
What is the InChIKey of 1-(2-ethylhexyl)-2-methylpiperidin-4-one?
The InChIKey is HYHSBSADFDCLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-6-7-13(5-2)11-15-9-8-14(16)10-12(15)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(2-ethylhexyl)-2-methylpiperidin-4-one?
1-(2-ethylhexyl)-2-methylpiperidin-4-one has a molecular weight of 225.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-2-methylpiperidin-4-one is sourced from PubChem (CID 107815386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).