(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone

C13H24N2O2 — CID 115976998

IUPAC(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(N)CCOCC2)CC1C
InChIInChI=1S/C13H24N2O2/c1-10-3-6-15(9-11(10)2)12(16)13(14)4-7-17-8-5-13/h10-11H,3-9,14H2,1-2H3
InChIKeyJGCSSUOJYVIMMO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.00
Rot. Bonds1

About (4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone

(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone (PubChem CID 115976998) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone
PubChem CID115976998
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(N)CCOCC2)CC1C
InChIInChI=1S/C13H24N2O2/c1-10-3-6-15(9-11(10)2)12(16)13(14)4-7-17-8-5-13/h10-11H,3-9,14H2,1-2H3
InChIKeyJGCSSUOJYVIMMO-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 115295112
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431
(4-aminooxan-4-yl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 115295111
(4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 115294891
(4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113280783
(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679
1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
CID 115294492
(4-aminooxan-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115294424
(1-aminocyclopropyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957458
[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 115294224
(1-aminocyclopentyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 55158587
(1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328203

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone (CID 115976998) is (4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2(N)CCOCC2)CC1C.
What is the InChIKey of (4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is JGCSSUOJYVIMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-3-6-15(9-11(10)2)12(16)13(14)4-7-17-8-5-13/h10-11H,3-9,14H2,1-2H3.
What are the key properties of (4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone?
(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 115976998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).