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

C11H21NO — CID 106778946

IUPAC2-methyl-4-(oxan-4-yl)piperidine
SMILESCC1CC(C2CCOCC2)CCN1
InChIInChI=1S/C11H21NO/c1-9-8-11(2-5-12-9)10-3-6-13-7-4-10/h9-12H,2-8H2,1H3
InChIKeyHKBDGJDHSOPACG-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds1

About 2-methyl-4-(oxan-4-yl)piperidine

2-methyl-4-(oxan-4-yl)piperidine (PubChem CID 106778946) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-4-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name2-methyl-4-(oxan-4-yl)piperidine
PubChem CID106778946
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-4-(oxan-4-yl)piperidine
SMILESCC1CC(C2CCOCC2)CCN1
InChIInChI=1S/C11H21NO/c1-9-8-11(2-5-12-9)10-3-6-13-7-4-10/h9-12H,2-8H2,1H3
InChIKeyHKBDGJDHSOPACG-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-2-methylpiperidine
CID 82594092
4-(3,4-dimethylcyclohexyl)-2-methylpiperidine
CID 106779525
N,N-diethyl-4-(oxan-4-yl)piperidine-2-carboxamide
CID 106778947
6-methyl-2-(oxolan-3-yl)-1,3-thiazinane
CID 66224217
1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole
CID 68902591
(4R)-2,4-dimethylpiperidine
CID 144551274
2,2-dimethyl-4-(oxan-4-yl)piperidine
CID 117258197
6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 165117127
2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine
CID 106780697
4-(3-chlorocyclopentyl)oxane
CID 64515417
(7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 154934002
(5S,7R)-5,7-dimethyl-1,4-diazepane
CID 55288229

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxan-4-yl)piperidine?
The IUPAC name of 2-methyl-4-(oxan-4-yl)piperidine (CID 106778946) is 2-methyl-4-(oxan-4-yl)piperidine.
What is the SMILES notation for 2-methyl-4-(oxan-4-yl)piperidine?
The canonical SMILES for 2-methyl-4-(oxan-4-yl)piperidine is CC1CC(C2CCOCC2)CCN1.
What is the InChIKey of 2-methyl-4-(oxan-4-yl)piperidine?
The InChIKey is HKBDGJDHSOPACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-8-11(2-5-12-9)10-3-6-13-7-4-10/h9-12H,2-8H2,1H3.
What are the key properties of 2-methyl-4-(oxan-4-yl)piperidine?
2-methyl-4-(oxan-4-yl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxan-4-yl)piperidine is sourced from PubChem (CID 106778946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).