1-(3-ethylpiperidin-3-yl)prop-2-en-1-one

C10H17NO — CID 116568564

IUPAC1-(3-ethylpiperidin-3-yl)prop-2-en-1-one
SMILESC=CC(=O)C1(CC)CCCNC1
InChIInChI=1S/C10H17NO/c1-3-9(12)10(4-2)6-5-7-11-8-10/h3,11H,1,4-8H2,2H3
InChIKeyCIGUCFGACNCSPM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.52
Rot. Bonds3

About 1-(3-ethylpiperidin-3-yl)prop-2-en-1-one

1-(3-ethylpiperidin-3-yl)prop-2-en-1-one (PubChem CID 116568564) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3-ethylpiperidin-3-yl)prop-2-en-1-one
PubChem CID116568564
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(3-ethylpiperidin-3-yl)prop-2-en-1-one
SMILESC=CC(=O)C1(CC)CCCNC1
InChIInChI=1S/C10H17NO/c1-3-9(12)10(4-2)6-5-7-11-8-10/h3,11H,1,4-8H2,2H3
InChIKeyCIGUCFGACNCSPM-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S,4E)-4-(fluoromethylidene)-3-methylpiperidin-3-yl]ethanone
CID 176883295
1-(3-Methylpiperidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-one
CID 130565002
6-[1-(Ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
CID 18320254
6-(Ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 18320278
4,4-Dimethyl-6-(methylaminomethyl)cyclohex-2-en-1-one
CID 18320433
8-Azaspiro[4.5]dec-3-en-2-one
CID 20548252
3-Methyl-3-prop-2-enylpiperidin-4-one
CID 21652418
5-[2-(Ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
CID 68984896
3,3,5-Tris(prop-2-enyl)piperidin-4-one
CID 69092834
8-Azaspiro[4.5]dec-3-en-2-one;hydrochloride
CID 70038620
1-(4-Ethenylpiperidin-4-yl)ethanone
CID 118175802
1-(4-Prop-2-enylpiperidin-4-yl)prop-2-en-1-one
CID 118238287

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-3-yl)prop-2-en-1-one?
The IUPAC name of 1-(3-ethylpiperidin-3-yl)prop-2-en-1-one (CID 116568564) is 1-(3-ethylpiperidin-3-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(3-ethylpiperidin-3-yl)prop-2-en-1-one?
The canonical SMILES for 1-(3-ethylpiperidin-3-yl)prop-2-en-1-one is C=CC(=O)C1(CC)CCCNC1.
What is the InChIKey of 1-(3-ethylpiperidin-3-yl)prop-2-en-1-one?
The InChIKey is CIGUCFGACNCSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9(12)10(4-2)6-5-7-11-8-10/h3,11H,1,4-8H2,2H3.
What are the key properties of 1-(3-ethylpiperidin-3-yl)prop-2-en-1-one?
1-(3-ethylpiperidin-3-yl)prop-2-en-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 116568564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).