3-methyl-3-(oxan-2-ylmethyl)piperidine

C12H23NO — CID 20659821

IUPAC3-methyl-3-(oxan-2-ylmethyl)piperidine
SMILESCC1(CC2CCCCO2)CCCNC1
InChIInChI=1S/C12H23NO/c1-12(6-4-7-13-10-12)9-11-5-2-3-8-14-11/h11,13H,2-10H2,1H3
InChIKeyVDYZBPSDKALGCL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds2

About 3-methyl-3-(oxan-2-ylmethyl)piperidine

3-methyl-3-(oxan-2-ylmethyl)piperidine (PubChem CID 20659821) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methyl-3-(oxan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-methyl-3-(oxan-2-ylmethyl)piperidine
PubChem CID20659821
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methyl-3-(oxan-2-ylmethyl)piperidine
SMILESCC1(CC2CCCCO2)CCCNC1
InChIInChI=1S/C12H23NO/c1-12(6-4-7-13-10-12)9-11-5-2-3-8-14-11/h11,13H,2-10H2,1H3
InChIKeyVDYZBPSDKALGCL-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(oxan-2-ylmethyl)piperidine?
The IUPAC name of 3-methyl-3-(oxan-2-ylmethyl)piperidine (CID 20659821) is 3-methyl-3-(oxan-2-ylmethyl)piperidine.
What is the SMILES notation for 3-methyl-3-(oxan-2-ylmethyl)piperidine?
The canonical SMILES for 3-methyl-3-(oxan-2-ylmethyl)piperidine is CC1(CC2CCCCO2)CCCNC1.
What is the InChIKey of 3-methyl-3-(oxan-2-ylmethyl)piperidine?
The InChIKey is VDYZBPSDKALGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(6-4-7-13-10-12)9-11-5-2-3-8-14-11/h11,13H,2-10H2,1H3.
What are the key properties of 3-methyl-3-(oxan-2-ylmethyl)piperidine?
3-methyl-3-(oxan-2-ylmethyl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(oxan-2-ylmethyl)piperidine is sourced from PubChem (CID 20659821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).