1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone

C12H20N2O — CID 14761798

IUPAC1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1C#CCN(C)C
InChIInChI=1S/C12H20N2O/c1-11(15)14-10-5-4-7-12(14)8-6-9-13(2)3/h12H,4-5,7,9-10H2,1-3H3
InChIKeyCUYKZCBANJGJGJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.95
Rot. Bonds1

About 1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone

1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone (PubChem CID 14761798) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone
PubChem CID14761798
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1C#CCN(C)C
InChIInChI=1S/C12H20N2O/c1-11(15)14-10-5-4-7-12(14)8-6-9-13(2)3/h12H,4-5,7,9-10H2,1-3H3
InChIKeyCUYKZCBANJGJGJ-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methylbut-3-en-1-ynyl)piperidin-1-yl]ethanone
CID 170615631
(2S)-1-acetylazepane-2-carbonitrile
CID 125042026
1-acetyl-5-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-2-one
CID 15629532
1-[2-(dimethylamino)piperidin-1-yl]ethanone
CID 90836740
2-cyano-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159844
1-(2-hydroxypiperidin-1-yl)ethanone
CID 70448488
2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine-1-carboxylic acid
CID 19753284
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
tert-butyl 2-(2-iodoethynyl)piperidine-1-carboxylate
CID 10860621
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone (CID 14761798) is 1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1C#CCN(C)C.
What is the InChIKey of 1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone?
The InChIKey is CUYKZCBANJGJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(15)14-10-5-4-7-12(14)8-6-9-13(2)3/h12H,4-5,7,9-10H2,1-3H3.
What are the key properties of 1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone?
1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone has a molecular weight of 208.30 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)prop-1-ynyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 14761798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).