2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone

C10H18N2O — CID 55250933

IUPAC2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone
SMILESC=C1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C10H18N2O/c1-9-4-6-12(7-5-9)10(13)8-11(2)3/h1,4-8H2,2-3H3
InChIKeyCGEPUIKCZQGFSS-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.73
Rot. Bonds2

About 2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone

2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone (PubChem CID 55250933) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone
PubChem CID55250933
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone
SMILESC=C1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C10H18N2O/c1-9-4-6-12(7-5-9)10(13)8-11(2)3/h1,4-8H2,2-3H3
InChIKeyCGEPUIKCZQGFSS-UHFFFAOYSA-N
XLogP0.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone (CID 55250933) is 2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone is C=C1CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone?
The InChIKey is CGEPUIKCZQGFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9-4-6-12(7-5-9)10(13)8-11(2)3/h1,4-8H2,2-3H3.
What are the key properties of 2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone?
2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone has a molecular weight of 182.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone is sourced from PubChem (CID 55250933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).