1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride

C18H28Cl3NO — CID 67440191

IUPAC1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride
SMILESCC(CCCN1CCCCC1)CCOc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C18H27Cl2NO.ClH/c1-15(6-5-12-21-10-3-2-4-11-21)9-13-22-16-7-8-17(19)18(20)14-16;/h7-8,14-15H,2-6,9-13H2,1H3;1H
InChIKeyGSPUHJCLJSIKRD-UHFFFAOYSA-N
MW380.79 g/mol
LogP6.09
Rot. Bonds8

About 1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride

1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride (PubChem CID 67440191) has the molecular formula C18H28Cl3NO and a molecular weight of 380.79 g/mol. Its IUPAC name is 1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride
PubChem CID67440191
Molecular FormulaC18H28Cl3NO
Molecular Weight380.79 g/mol
Exact Mass379.12
IUPAC Name1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride
SMILESCC(CCCN1CCCCC1)CCOc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C18H27Cl2NO.ClH/c1-15(6-5-12-21-10-3-2-4-11-21)9-13-22-16-7-8-17(19)18(20)14-16;/h7-8,14-15H,2-6,9-13H2,1H3;1H
InChIKeyGSPUHJCLJSIKRD-UHFFFAOYSA-N
XLogP6.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.79
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
CID 2581947
4-[2-(3,4-dichlorophenoxy)ethyl]-1-(5-piperidin-1-ylpentyl)piperidine
CID 57295773
1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine
CID 91053394
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride?
The IUPAC name of 1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride (CID 67440191) is 1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride?
The canonical SMILES for 1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride is CC(CCCN1CCCCC1)CCOc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride?
The InChIKey is GSPUHJCLJSIKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2NO.ClH/c1-15(6-5-12-21-10-3-2-4-11-21)9-13-22-16-7-8-17(19)18(20)14-16;/h7-8,14-15H,2-6,9-13H2,1H3;1H.
What are the key properties of 1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride?
1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride has a molecular weight of 380.79 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride is sourced from PubChem (CID 67440191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).