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

C10H19NO — CID 64591825

IUPAC1-(2,3-dimethylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCCC(C)C1C
InChIInChI=1S/C10H19NO/c1-4-10(12)11-7-5-6-8(2)9(11)3/h8-9H,4-7H2,1-3H3
InChIKeyRSADXDFKRPXFFS-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.04
Rot. Bonds1

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

1-(2,3-dimethylpiperidin-1-yl)propan-1-one (PubChem CID 64591825) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylpiperidin-1-yl)propan-1-one
PubChem CID64591825
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2,3-dimethylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCCC(C)C1C
InChIInChI=1S/C10H19NO/c1-4-10(12)11-7-5-6-8(2)9(11)3/h8-9H,4-7H2,1-3H3
InChIKeyRSADXDFKRPXFFS-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopentylamino)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55040519
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964423
2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone
CID 130932525
1-(2,3-dimethylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62122858
1-(2,3-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79005743
2-bromo-1-(2,3-dimethylpiperidin-1-yl)butan-1-one
CID 62856002
(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 115665198
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-[2-(chloromethyl)pyrrolidin-1-yl]propan-1-one
CID 63394674
N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
CID 77036368
2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 81322765

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)propan-1-one (CID 64591825) is 1-(2,3-dimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dimethylpiperidin-1-yl)propan-1-one is CCC(=O)N1CCCC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperidin-1-yl)propan-1-one?
The InChIKey is RSADXDFKRPXFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(12)11-7-5-6-8(2)9(11)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2,3-dimethylpiperidin-1-yl)propan-1-one?
1-(2,3-dimethylpiperidin-1-yl)propan-1-one has a molecular weight of 169.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 64591825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).