1-methyl-4-(oxan-4-yl)piperidine

C11H21NO — CID 58931517

IUPAC1-methyl-4-(oxan-4-yl)piperidine
SMILESCN1CCC(C2CCOCC2)CC1
InChIInChI=1S/C11H21NO/c1-12-6-2-10(3-7-12)11-4-8-13-9-5-11/h10-11H,2-9H2,1H3
InChIKeyHQZNGJXQNBUYRV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.75
Rot. Bonds1

About 1-methyl-4-(oxan-4-yl)piperidine

1-methyl-4-(oxan-4-yl)piperidine (PubChem CID 58931517) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-methyl-4-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(oxan-4-yl)piperidine
PubChem CID58931517
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-methyl-4-(oxan-4-yl)piperidine
SMILESCN1CCC(C2CCOCC2)CC1
InChIInChI=1S/C11H21NO/c1-12-6-2-10(3-7-12)11-4-8-13-9-5-11/h10-11H,2-9H2,1H3
InChIKeyHQZNGJXQNBUYRV-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[4-(oxan-4-yl)piperidin-1-yl]butanenitrile
CID 98562229
N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine
CID 100703721
1-(3-Fluorooxan-4-yl)-4-propan-2-ylpiperidine
CID 123280602
1-[(2,2-Dimethyloxan-4-yl)methyl]-4-fluoropiperidine
CID 141160118
4-Ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine
CID 144714352
2-(3-Fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane
CID 126792499
2-[(3R)-3-fluorobutyl]-9-oxa-2-azaspiro[5.5]undecane
CID 129348510
2-[(3S)-3-fluorobutyl]-9-oxa-2-azaspiro[5.5]undecane
CID 129348511
4-(Oxan-4-yl)piperidine
CID 17781710
3-(2-Methoxyethyl)-1-methylpiperidine
CID 17976531
4-Methyl-1-(oxan-4-yl)piperidine
CID 20758866
4-(3-Propoxypropyl)-1-propylpiperidine
CID 53765603

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxan-4-yl)piperidine?
The IUPAC name of 1-methyl-4-(oxan-4-yl)piperidine (CID 58931517) is 1-methyl-4-(oxan-4-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(oxan-4-yl)piperidine?
The canonical SMILES for 1-methyl-4-(oxan-4-yl)piperidine is CN1CCC(C2CCOCC2)CC1.
What is the InChIKey of 1-methyl-4-(oxan-4-yl)piperidine?
The InChIKey is HQZNGJXQNBUYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-12-6-2-10(3-7-12)11-4-8-13-9-5-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-methyl-4-(oxan-4-yl)piperidine?
1-methyl-4-(oxan-4-yl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxan-4-yl)piperidine is sourced from PubChem (CID 58931517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).