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

C11H21NO — CID 79320307

IUPAC3-methyl-4-(oxan-4-yl)piperidine
SMILESCC1CNCCC1C1CCOCC1
InChIInChI=1S/C11H21NO/c1-9-8-12-5-2-11(9)10-3-6-13-7-4-10/h9-12H,2-8H2,1H3
InChIKeyVEAUVCOFOCPKCU-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds1

About 3-methyl-4-(oxan-4-yl)piperidine

3-methyl-4-(oxan-4-yl)piperidine (PubChem CID 79320307) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methyl-4-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name3-methyl-4-(oxan-4-yl)piperidine
PubChem CID79320307
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methyl-4-(oxan-4-yl)piperidine
SMILESCC1CNCCC1C1CCOCC1
InChIInChI=1S/C11H21NO/c1-9-8-12-5-2-11(9)10-3-6-13-7-4-10/h9-12H,2-8H2,1H3
InChIKeyVEAUVCOFOCPKCU-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxan-4-yl)piperidine?
The IUPAC name of 3-methyl-4-(oxan-4-yl)piperidine (CID 79320307) is 3-methyl-4-(oxan-4-yl)piperidine.
What is the SMILES notation for 3-methyl-4-(oxan-4-yl)piperidine?
The canonical SMILES for 3-methyl-4-(oxan-4-yl)piperidine is CC1CNCCC1C1CCOCC1.
What is the InChIKey of 3-methyl-4-(oxan-4-yl)piperidine?
The InChIKey is VEAUVCOFOCPKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-8-12-5-2-11(9)10-3-6-13-7-4-10/h9-12H,2-8H2,1H3.
What are the key properties of 3-methyl-4-(oxan-4-yl)piperidine?
3-methyl-4-(oxan-4-yl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxan-4-yl)piperidine is sourced from PubChem (CID 79320307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).