1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine

C17H26ClNO — CID 166625594

IUPAC1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1CCOc1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO/c1-16(2)10-5-11-17(3,4)19(16)12-13-20-15-8-6-14(18)7-9-15/h6-9H,5,10-13H2,1-4H3
InChIKeyHINFMJFKZCCNSZ-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.76
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine

1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine (PubChem CID 166625594) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
PubChem CID166625594
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1CCOc1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO/c1-16(2)10-5-11-17(3,4)19(16)12-13-20-15-8-6-14(18)7-9-15/h6-9H,5,10-13H2,1-4H3
InChIKeyHINFMJFKZCCNSZ-UHFFFAOYSA-N
XLogP4.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride
CID 166628381
1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
CID 107407990
1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56884401
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
CID 81172510
1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
CID 63091463
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine
CID 121418465
1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155812406
2-[2-(4-chlorophenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235631
1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
CID 45252246

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine (CID 166625594) is 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine?
The InChIKey is HINFMJFKZCCNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-16(2)10-5-11-17(3,4)19(16)12-13-20-15-8-6-14(18)7-9-15/h6-9H,5,10-13H2,1-4H3.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine?
1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine has a molecular weight of 295.85 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 166625594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).