1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one

C12H21NO — CID 168877577

IUPAC1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1(C)CCC(CC)CN1C
InChIInChI=1S/C12H21NO/c1-5-10-7-8-12(3,11(14)6-2)13(4)9-10/h6,10H,2,5,7-9H2,1,3-4H3
InChIKeyZZTRWLIEMBVAHT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds3

About 1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one

1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one (PubChem CID 168877577) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one
PubChem CID168877577
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1(C)CCC(CC)CN1C
InChIInChI=1S/C12H21NO/c1-5-10-7-8-12(3,11(14)6-2)13(4)9-10/h6,10H,2,5,7-9H2,1,3-4H3
InChIKeyZZTRWLIEMBVAHT-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1,2,2,6,6-Pentamethylpiperidin-4-yl)prop-2-en-1-one
CID 19885335
1,2,2,6,6-Pentamethyl-4-prop-2-enoylpiperidin-3-one
CID 53988061
1-[(3Z)-7-methyl-7-azabicyclo[4.2.2]dec-3-en-8-yl]ethanone
CID 59400952
1-(7-Methyl-7-azabicyclo[4.2.2]dec-3-en-8-yl)ethanone
CID 72274057
5-(2,2,6,6-Tetramethyl-1-prop-2-enylpiperidin-4-yl)pent-1-en-3-one
CID 89829225
2,4-Dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one
CID 90351461
2,4-Dimethyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one
CID 90351462
2,4-Dimethyl-4-[methyl(propan-2-yl)amino]dodec-11-en-3-one
CID 90351463
(4S)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
CID 90351464
(4S)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dodec-11-en-3-one
CID 90351465
(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dodec-11-en-3-one
CID 90351468
4-Hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one
CID 90351470

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one (CID 168877577) is 1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one is C=CC(=O)C1(C)CCC(CC)CN1C.
What is the InChIKey of 1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one?
The InChIKey is ZZTRWLIEMBVAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-10-7-8-12(3,11(14)6-2)13(4)9-10/h6,10H,2,5,7-9H2,1,3-4H3.
What are the key properties of 1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one?
1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2-dimethylpiperidin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 168877577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).