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

C17H27Cl2NO — CID 166628381

IUPAC1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride
SMILESCC1(C)CCCC(C)(C)N1CCOc1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H26ClNO.ClH/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;1H
InChIKeySGUIZGSQOSXRET-UHFFFAOYSA-N
MW332.31 g/mol
LogP5.18
Rot. Bonds4

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

1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride (PubChem CID 166628381) has the molecular formula C17H27Cl2NO and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride
PubChem CID166628381
Molecular FormulaC17H27Cl2NO
Molecular Weight332.31 g/mol
Exact Mass331.15
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride
SMILESCC1(C)CCCC(C)(C)N1CCOc1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H26ClNO.ClH/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;1H
InChIKeySGUIZGSQOSXRET-UHFFFAOYSA-N
XLogP5.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.31
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
CID 166625594
1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
CID 107407990
1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56884401
N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927795
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
CID 81172510
2-(4-chlorophenoxy)-N-ethylethanamine;hydrochloride
CID 75531594
1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
CID 63091463
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride (CID 166628381) is 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride is CC1(C)CCCC(C)(C)N1CCOc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride?
The InChIKey is SGUIZGSQOSXRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO.ClH/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;1H.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride?
1-[2-(4-chlorophenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride has a molecular weight of 332.31 g/mol, XLogP of 5.18, 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;hydrochloride is sourced from PubChem (CID 166628381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).