4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine

C11H23NO — CID 79321611

IUPAC4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine
SMILESCOCC1(C)CCNCC1C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)10-7-12-6-5-11(10,3)8-13-4/h9-10,12H,5-8H2,1-4H3
InChIKeyPTVZDEXUHNGSPH-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.90
Rot. Bonds3

About 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine

4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine (PubChem CID 79321611) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine
PubChem CID79321611
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine
SMILESCOCC1(C)CCNCC1C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)10-7-12-6-5-11(10,3)8-13-4/h9-10,12H,5-8H2,1-4H3
InChIKeyPTVZDEXUHNGSPH-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine 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-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine?
The IUPAC name of 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine (CID 79321611) is 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine.
What is the SMILES notation for 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine?
The canonical SMILES for 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine is COCC1(C)CCNCC1C(C)C.
What is the InChIKey of 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine?
The InChIKey is PTVZDEXUHNGSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)10-7-12-6-5-11(10,3)8-13-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine?
4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine has a molecular weight of 185.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine is sourced from PubChem (CID 79321611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).