1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one

C15H25NO — CID 54975264

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one
SMILESCC1CN(C(C)C2CC3CCC2C3)CCC1=O
InChIInChI=1S/C15H25NO/c1-10-9-16(6-5-15(10)17)11(2)14-8-12-3-4-13(14)7-12/h10-14H,3-9H2,1-2H3
InChIKeyLOYMFPNXKSLESU-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.72
Rot. Bonds2

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one (PubChem CID 54975264) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one
PubChem CID54975264
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one
SMILESCC1CN(C(C)C2CC3CCC2C3)CCC1=O
InChIInChI=1S/C15H25NO/c1-10-9-16(6-5-15(10)17)11(2)14-8-12-3-4-13(14)7-12/h10-14H,3-9H2,1-2H3
InChIKeyLOYMFPNXKSLESU-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
CID 98186157
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
CID 98186158
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 54973512
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 43315021
2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid
CID 114500310
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylimidazolidin-4-one
CID 83237826
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine
CID 64918287
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one
CID 83239179
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole
CID 98294882
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one (CID 54975264) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one is CC1CN(C(C)C2CC3CCC2C3)CCC1=O.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one?
The InChIKey is LOYMFPNXKSLESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-9-16(6-5-15(10)17)11(2)14-8-12-3-4-13(14)7-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one has a molecular weight of 235.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one is sourced from PubChem (CID 54975264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).