3-benzyl-4-ethyl-4-(methoxymethyl)piperidine

C16H25NO — CID 79321073

IUPAC3-benzyl-4-ethyl-4-(methoxymethyl)piperidine
SMILESCCC1(COC)CCNCC1Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-3-16(13-18-2)9-10-17-12-15(16)11-14-7-5-4-6-8-14/h4-8,15,17H,3,9-13H2,1-2H3
InChIKeyWRUSUPDSDPOZRZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.88
Rot. Bonds5

About 3-benzyl-4-ethyl-4-(methoxymethyl)piperidine

3-benzyl-4-ethyl-4-(methoxymethyl)piperidine (PubChem CID 79321073) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-benzyl-4-ethyl-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name3-benzyl-4-ethyl-4-(methoxymethyl)piperidine
PubChem CID79321073
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-benzyl-4-ethyl-4-(methoxymethyl)piperidine
SMILESCCC1(COC)CCNCC1Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-3-16(13-18-2)9-10-17-12-15(16)11-14-7-5-4-6-8-14/h4-8,15,17H,3,9-13H2,1-2H3
InChIKeyWRUSUPDSDPOZRZ-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-3,4-diethylpiperidine
CID 79312303
3-benzyl-4,4-difluoropiperidine
CID 84678460
5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79320491
5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane
CID 81304027
5-benzyl-8,10,10-trimethyl-3-azaspiro[5.5]undecane
CID 79310597
3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]
CID 105366313
4-(methoxymethyl)-4-methyl-3-propylpiperidine
CID 79321116
4-benzyl-2-(methoxymethyl)-2-methylpiperidine
CID 117258529
(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120622597
2-benzyl-6-ethyl-2,8-diazaspiro[4.5]decane
CID 79320158
4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid
CID 114509068
3,3-diethyl-2-phenylpyrrolidine
CID 62721295

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-ethyl-4-(methoxymethyl)piperidine?
The IUPAC name of 3-benzyl-4-ethyl-4-(methoxymethyl)piperidine (CID 79321073) is 3-benzyl-4-ethyl-4-(methoxymethyl)piperidine.
What is the SMILES notation for 3-benzyl-4-ethyl-4-(methoxymethyl)piperidine?
The canonical SMILES for 3-benzyl-4-ethyl-4-(methoxymethyl)piperidine is CCC1(COC)CCNCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-ethyl-4-(methoxymethyl)piperidine?
The InChIKey is WRUSUPDSDPOZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-16(13-18-2)9-10-17-12-15(16)11-14-7-5-4-6-8-14/h4-8,15,17H,3,9-13H2,1-2H3.
What are the key properties of 3-benzyl-4-ethyl-4-(methoxymethyl)piperidine?
3-benzyl-4-ethyl-4-(methoxymethyl)piperidine has a molecular weight of 247.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-ethyl-4-(methoxymethyl)piperidine is sourced from PubChem (CID 79321073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).