4-benzyl-2-(methoxymethyl)-2-methylpiperidine

C15H23NO — CID 117258529

IUPAC4-benzyl-2-(methoxymethyl)-2-methylpiperidine
SMILESCOCC1(C)CC(Cc2ccccc2)CCN1
InChIInChI=1S/C15H23NO/c1-15(12-17-2)11-14(8-9-16-15)10-13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3
InChIKeyKUOPUHFGQBKAAB-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.63
Rot. Bonds4

About 4-benzyl-2-(methoxymethyl)-2-methylpiperidine

4-benzyl-2-(methoxymethyl)-2-methylpiperidine (PubChem CID 117258529) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-benzyl-2-(methoxymethyl)-2-methylpiperidine.

Molecular Properties

Compound Name4-benzyl-2-(methoxymethyl)-2-methylpiperidine
PubChem CID117258529
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-benzyl-2-(methoxymethyl)-2-methylpiperidine
SMILESCOCC1(C)CC(Cc2ccccc2)CCN1
InChIInChI=1S/C15H23NO/c1-15(12-17-2)11-14(8-9-16-15)10-13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3
InChIKeyKUOPUHFGQBKAAB-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(methoxymethyl)-2-methylpiperidine?
The IUPAC name of 4-benzyl-2-(methoxymethyl)-2-methylpiperidine (CID 117258529) is 4-benzyl-2-(methoxymethyl)-2-methylpiperidine.
What is the SMILES notation for 4-benzyl-2-(methoxymethyl)-2-methylpiperidine?
The canonical SMILES for 4-benzyl-2-(methoxymethyl)-2-methylpiperidine is COCC1(C)CC(Cc2ccccc2)CCN1.
What is the InChIKey of 4-benzyl-2-(methoxymethyl)-2-methylpiperidine?
The InChIKey is KUOPUHFGQBKAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(12-17-2)11-14(8-9-16-15)10-13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3.
What are the key properties of 4-benzyl-2-(methoxymethyl)-2-methylpiperidine?
4-benzyl-2-(methoxymethyl)-2-methylpiperidine has a molecular weight of 233.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(methoxymethyl)-2-methylpiperidine is sourced from PubChem (CID 117258529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).