4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine

C12H23NO2 — CID 166659354

IUPAC4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine
SMILESCC1CCN(CC2COC(C)OC2)CC1
InChIInChI=1S/C12H23NO2/c1-10-3-5-13(6-4-10)7-12-8-14-11(2)15-9-12/h10-12H,3-9H2,1-2H3
InChIKeyNVHMFESCVSXDDG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.73
Rot. Bonds2

About 4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine

4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine (PubChem CID 166659354) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine
PubChem CID166659354
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine
SMILESCC1CCN(CC2COC(C)OC2)CC1
InChIInChI=1S/C12H23NO2/c1-10-3-5-13(6-4-10)7-12-8-14-11(2)15-9-12/h10-12H,3-9H2,1-2H3
InChIKeyNVHMFESCVSXDDG-UHFFFAOYSA-N
XLogP1.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine?
The IUPAC name of 4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine (CID 166659354) is 4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine?
The canonical SMILES for 4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine is CC1CCN(CC2COC(C)OC2)CC1.
What is the InChIKey of 4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine?
The InChIKey is NVHMFESCVSXDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10-3-5-13(6-4-10)7-12-8-14-11(2)15-9-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine?
4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine has a molecular weight of 213.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine is sourced from PubChem (CID 166659354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).