1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone

C12H24N2O — CID 60683032

IUPAC1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
SMILESCCC1CCCCN1C(=O)CNC(C)C
InChIInChI=1S/C12H24N2O/c1-4-11-7-5-6-8-14(11)12(15)9-13-10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyWNVITGRZWHHRKI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone

1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 60683032) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
PubChem CID60683032
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
SMILESCCC1CCCCN1C(=O)CNC(C)C
InChIInChI=1S/C12H24N2O/c1-4-11-7-5-6-8-14(11)12(15)9-13-10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyWNVITGRZWHHRKI-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone (CID 60683032) is 1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone is CCC1CCCCN1C(=O)CNC(C)C.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is WNVITGRZWHHRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-11-7-5-6-8-14(11)12(15)9-13-10(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone?
1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 212.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 60683032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).