1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one

C12H24N2O — CID 62833376

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)N1C(C)CCCC1C
InChIInChI=1S/C12H24N2O/c1-4-13-9-8-12(15)14-10(2)6-5-7-11(14)3/h10-11,13H,4-9H2,1-3H3
InChIKeyIDJWCDGMWSSYEL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one

1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one (PubChem CID 62833376) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one
PubChem CID62833376
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)N1C(C)CCCC1C
InChIInChI=1S/C12H24N2O/c1-4-13-9-8-12(15)14-10(2)6-5-7-11(14)3/h10-11,13H,4-9H2,1-3H3
InChIKeyIDJWCDGMWSSYEL-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one (CID 62833376) is 1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one is CCNCCC(=O)N1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one?
The InChIKey is IDJWCDGMWSSYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-13-9-8-12(15)14-10(2)6-5-7-11(14)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one?
1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one 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-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one is sourced from PubChem (CID 62833376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).