4-methyl-1-[(3R)-oxan-3-yl]piperidine

C11H21NO — CID 126716470

IUPAC4-methyl-1-[(3R)-oxan-3-yl]piperidine
SMILESCC1CCN([C@@H]2CCCOC2)CC1
InChIInChI=1S/C11H21NO/c1-10-4-6-12(7-5-10)11-3-2-8-13-9-11/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyNNEXOHZQLWWAES-LLVKDONJSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds1

About 4-methyl-1-[(3R)-oxan-3-yl]piperidine

4-methyl-1-[(3R)-oxan-3-yl]piperidine (PubChem CID 126716470) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-methyl-1-[(3R)-oxan-3-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[(3R)-oxan-3-yl]piperidine
PubChem CID126716470
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-methyl-1-[(3R)-oxan-3-yl]piperidine
SMILESCC1CCN([C@@H]2CCCOC2)CC1
InChIInChI=1S/C11H21NO/c1-10-4-6-12(7-5-10)11-3-2-8-13-9-11/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyNNEXOHZQLWWAES-LLVKDONJSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3R)-oxan-3-yl]piperidine?
The IUPAC name of 4-methyl-1-[(3R)-oxan-3-yl]piperidine (CID 126716470) is 4-methyl-1-[(3R)-oxan-3-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[(3R)-oxan-3-yl]piperidine?
The canonical SMILES for 4-methyl-1-[(3R)-oxan-3-yl]piperidine is CC1CCN([C@@H]2CCCOC2)CC1.
What is the InChIKey of 4-methyl-1-[(3R)-oxan-3-yl]piperidine?
The InChIKey is NNEXOHZQLWWAES-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO/c1-10-4-6-12(7-5-10)11-3-2-8-13-9-11/h10-11H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of 4-methyl-1-[(3R)-oxan-3-yl]piperidine?
4-methyl-1-[(3R)-oxan-3-yl]piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3R)-oxan-3-yl]piperidine is sourced from PubChem (CID 126716470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).