[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone

C13H24N2O2 — CID 113282965

IUPAC[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone
SMILESCNC1(C)CCN(C(=O)C2CCCCO2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(14-2)6-8-15(9-7-13)12(16)11-5-3-4-10-17-11/h11,14H,3-10H2,1-2H3
InChIKeyKHDUAFWSXIACAY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds2

About [4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone

[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone (PubChem CID 113282965) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone.

Molecular Properties

Compound Name[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone
PubChem CID113282965
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone
SMILESCNC1(C)CCN(C(=O)C2CCCCO2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(14-2)6-8-15(9-7-13)12(16)11-5-3-4-10-17-11/h11,14H,3-10H2,1-2H3
InChIKeyKHDUAFWSXIACAY-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
6-bicyclo[3.1.0]hexanyl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304314
2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone
CID 131655037
(1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 104520828
[4-(ethylaminomethyl)-4-hydroxypiperidin-1-yl]-(oxolan-2-yl)methanone
CID 82044811
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
2-cyclopentyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304327
[4-(1-bromoethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 106839160
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone?
The IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone (CID 113282965) is [4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone.
What is the SMILES notation for [4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone?
The canonical SMILES for [4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone is CNC1(C)CCN(C(=O)C2CCCCO2)CC1.
What is the InChIKey of [4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone?
The InChIKey is KHDUAFWSXIACAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(14-2)6-8-15(9-7-13)12(16)11-5-3-4-10-17-11/h11,14H,3-10H2,1-2H3.
What are the key properties of [4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone?
[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone is sourced from PubChem (CID 113282965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).