1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one

C12H21NO — CID 71363306

IUPAC1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CC(CC)CCC1C
InChIInChI=1S/C12H21NO/c1-5-11-7-6-10(4)13(8-11)12(14)9(2)3/h10-11H,2,5-8H2,1,3-4H3
InChIKeyILNRCTQXBZXYNP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds2

About 1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one

1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one (PubChem CID 71363306) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one
PubChem CID71363306
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CC(CC)CCC1C
InChIInChI=1S/C12H21NO/c1-5-11-7-6-10(4)13(8-11)12(14)9(2)3/h10-11H,2,5-8H2,1,3-4H3
InChIKeyILNRCTQXBZXYNP-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-5-ethyl-2-methylpiperidin-1-yl]prop-2-en-1-one
CID 138539008
1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone
CID 130640020
(2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide
CID 130697867
2-methyl-1-[(2S)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 89291831
(5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone
CID 154089606
(2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
CID 112734433
2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one
CID 112734411
acetic acid;ethylcyclopropane
CID 175213909
4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 112734617
1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
CID 154678997
ethylcyclobutane;tris(2-methylprop-2-enoic acid)
CID 67802354
1-(3-ethylcyclopentyl)-2-methylprop-2-en-1-one
CID 79190153

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one (CID 71363306) is 1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one is C=C(C)C(=O)N1CC(CC)CCC1C.
What is the InChIKey of 1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one?
The InChIKey is ILNRCTQXBZXYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-11-7-6-10(4)13(8-11)12(14)9(2)3/h10-11H,2,5-8H2,1,3-4H3.
What are the key properties of 1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one?
1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 71363306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).