1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine

C16H23BrClNO2 — CID 2298294

IUPAC1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine
SMILESCc1cc(Cl)c(OCCOCCN2CCCCC2)c(Br)c1
InChIInChI=1S/C16H23BrClNO2/c1-13-11-14(17)16(15(18)12-13)21-10-9-20-8-7-19-5-3-2-4-6-19/h11-12H,2-10H2,1H3
InChIKeyOEIJSMHPOXNYQV-UHFFFAOYSA-N
MW376.72 g/mol
LogP4.29
Rot. Bonds7

About 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine

1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine (PubChem CID 2298294) has the molecular formula C16H23BrClNO2 and a molecular weight of 376.72 g/mol. Its IUPAC name is 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine
PubChem CID2298294
Molecular FormulaC16H23BrClNO2
Molecular Weight376.72 g/mol
Exact Mass375.06
IUPAC Name1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine
SMILESCc1cc(Cl)c(OCCOCCN2CCCCC2)c(Br)c1
InChIInChI=1S/C16H23BrClNO2/c1-13-11-14(17)16(15(18)12-13)21-10-9-20-8-7-19-5-3-2-4-6-19/h11-12H,2-10H2,1H3
InChIKeyOEIJSMHPOXNYQV-UHFFFAOYSA-N
XLogP4.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-(2-Chloro-4-methylphenoxy)pentyl]morpholine
CID 4141331
1-{2-[2-(2-Bromo-4-chlorophenoxy)ethoxy]ethyl}-4-methylpiperidine
CID 2269415
4-(2-bromo-6-chloro-4-methylphenoxy)-N-(2-methoxyethyl)-1-butanamine
CID 2299629
4-[4-(2-Bromo-6-chloro-4-methylphenoxy)butyl]morpholine
CID 2299958
1-{2-[2-(2-Bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl}-4-methylpiperazine oxalate
CID 2922233
1-[3-(2-Bromo-6-chloro-4-methylphenoxy)propyl]piperidine oxalate
CID 2922560
1-{2-[2-(2-Bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl}-4-methylpiperidine oxalate
CID 2924000
1-{2-[2-(2-Bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl}-3-methylpiperidine oxalate
CID 2935582
Cambridge id 7001994
CID 2296475
N-benzyl-3-(2-bromo-6-chloro-4-methylphenoxy)-1-propanamine oxalate
CID 2181167
Cambridge id 7017212
CID 803753
Cambridge id 7002686
CID 2296644

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine (CID 2298294) is 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine is Cc1cc(Cl)c(OCCOCCN2CCCCC2)c(Br)c1.
What is the InChIKey of 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine?
The InChIKey is OEIJSMHPOXNYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO2/c1-13-11-14(17)16(15(18)12-13)21-10-9-20-8-7-19-5-3-2-4-6-19/h11-12H,2-10H2,1H3.
What are the key properties of 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine?
1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine has a molecular weight of 376.72 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 2298294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).