1-[2-(dimethylamino)piperidin-1-yl]ethanone

C9H18N2O — CID 90836740

IUPAC1-[2-(dimethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1N(C)C
InChIInChI=1S/C9H18N2O/c1-8(12)11-7-5-4-6-9(11)10(2)3/h9H,4-7H2,1-3H3
InChIKeyHPUFBMYGVXPJEO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.91
Rot. Bonds1

About 1-[2-(dimethylamino)piperidin-1-yl]ethanone

1-[2-(dimethylamino)piperidin-1-yl]ethanone (PubChem CID 90836740) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[2-(dimethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)piperidin-1-yl]ethanone
PubChem CID90836740
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[2-(dimethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1N(C)C
InChIInChI=1S/C9H18N2O/c1-8(12)11-7-5-4-6-9(11)10(2)3/h9H,4-7H2,1-3H3
InChIKeyHPUFBMYGVXPJEO-UHFFFAOYSA-N
XLogP0.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)piperidin-1-yl]ethanone (CID 90836740) is 1-[2-(dimethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)piperidin-1-yl]ethanone is CC(=O)N1CCCCC1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)piperidin-1-yl]ethanone?
The InChIKey is HPUFBMYGVXPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(12)11-7-5-4-6-9(11)10(2)3/h9H,4-7H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)piperidin-1-yl]ethanone?
1-[2-(dimethylamino)piperidin-1-yl]ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 90836740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).