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

C12H23NO — CID 58990400

IUPAC4-methyl-1-(oxan-4-ylmethyl)piperidine
SMILESCC1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C12H23NO/c1-11-2-6-13(7-3-11)10-12-4-8-14-9-5-12/h11-12H,2-10H2,1H3
InChIKeyHRGMCZKQBSSMLY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds2

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

4-methyl-1-(oxan-4-ylmethyl)piperidine (PubChem CID 58990400) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-methyl-1-(oxan-4-ylmethyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(oxan-4-ylmethyl)piperidine
PubChem CID58990400
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-methyl-1-(oxan-4-ylmethyl)piperidine
SMILESCC1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C12H23NO/c1-11-2-6-13(7-3-11)10-12-4-8-14-9-5-12/h11-12H,2-10H2,1H3
InChIKeyHRGMCZKQBSSMLY-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-4-ylmethyl)piperidine?
The IUPAC name of 4-methyl-1-(oxan-4-ylmethyl)piperidine (CID 58990400) is 4-methyl-1-(oxan-4-ylmethyl)piperidine.
What is the SMILES notation for 4-methyl-1-(oxan-4-ylmethyl)piperidine?
The canonical SMILES for 4-methyl-1-(oxan-4-ylmethyl)piperidine is CC1CCN(CC2CCOCC2)CC1.
What is the InChIKey of 4-methyl-1-(oxan-4-ylmethyl)piperidine?
The InChIKey is HRGMCZKQBSSMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11-2-6-13(7-3-11)10-12-4-8-14-9-5-12/h11-12H,2-10H2,1H3.
What are the key properties of 4-methyl-1-(oxan-4-ylmethyl)piperidine?
4-methyl-1-(oxan-4-ylmethyl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-4-ylmethyl)piperidine is sourced from PubChem (CID 58990400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).