1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine

C22H29NO — CID 10711066

IUPAC1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1CCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C22H29NO/c1-18-7-6-8-19(2)23(18)15-16-24-22-13-11-21(12-14-22)17-20-9-4-3-5-10-20/h3-5,9-14,18-19H,6-8,15-17H2,1-2H3
InChIKeyZLTJCKKPCLOWLK-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.92
Rot. Bonds6

About 1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine

1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine (PubChem CID 10711066) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine
PubChem CID10711066
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1CCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C22H29NO/c1-18-7-6-8-19(2)23(18)15-16-24-22-13-11-21(12-14-22)17-20-9-4-3-5-10-20/h3-5,9-14,18-19H,6-8,15-17H2,1-2H3
InChIKeyZLTJCKKPCLOWLK-UHFFFAOYSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
CID 123293615
3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
CID 43365571
4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 104967571
2-[2-(4-benzylphenoxy)ethyl]-2-azabicyclo[2.2.1]heptane
CID 23553311
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine
CID 155520534
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
1-benzyl-4-(3-propoxypropoxy)benzene
CID 14353109
trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride
CID 67574078
2-(4-benzylphenoxy)cyclopentan-1-amine
CID 62274386
(7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine
CID 173240894
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine?
The IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine (CID 10711066) is 1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine.
What is the SMILES notation for 1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine?
The canonical SMILES for 1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine is CC1CCCC(C)N1CCOc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine?
The InChIKey is ZLTJCKKPCLOWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-18-7-6-8-19(2)23(18)15-16-24-22-13-11-21(12-14-22)17-20-9-4-3-5-10-20/h3-5,9-14,18-19H,6-8,15-17H2,1-2H3.
What are the key properties of 1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine?
1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine has a molecular weight of 323.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine is sourced from PubChem (CID 10711066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).