1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane

C12H26N2O — CID 143677842

IUPAC1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane
SMILESCC(=O)N1CCC(N(C)C)CC1.CCC
InChIInChI=1S/C9H18N2O.C3H8/c1-8(12)11-6-4-9(5-7-11)10(2)3;1-3-2/h9H,4-7H2,1-3H3;3H2,1-2H3
InChIKeyPTKKVELEHFDFME-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.98
Rot. Bonds1

About 1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane

1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane (PubChem CID 143677842) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane
PubChem CID143677842
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane
SMILESCC(=O)N1CCC(N(C)C)CC1.CCC
InChIInChI=1S/C9H18N2O.C3H8/c1-8(12)11-6-4-9(5-7-11)10(2)3;1-3-2/h9H,4-7H2,1-3H3;3H2,1-2H3
InChIKeyPTKKVELEHFDFME-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tris(1-[4-(dimethylamino)piperidin-1-yl]butane-1,3-dione);iron(3+)
CID 53467781
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid
CID 43586380
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride
CID 155821051
cyclopropyl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60763903
N-(1-acetylpiperidin-4-yl)-2-hydroxy-N-methylacetamide
CID 70917012
1-[(E)-but-2-en-2-yl]-N,N-dimethylpiperidin-4-amine
CID 144864042
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628
1-[4-[ethyl(2-hydroxyethyl)amino]piperidin-1-yl]ethanone
CID 66565461
propane;1-pyrrolidin-1-ylethanone
CID 143432619
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane (CID 143677842) is 1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane is CC(=O)N1CCC(N(C)C)CC1.CCC.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane?
The InChIKey is PTKKVELEHFDFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C3H8/c1-8(12)11-6-4-9(5-7-11)10(2)3;1-3-2/h9H,4-7H2,1-3H3;3H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane?
1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane has a molecular weight of 214.35 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane is sourced from PubChem (CID 143677842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).