1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine

C14H18BrClFNO — CID 171109320

IUPAC1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine
SMILESCC1CCN(CCOc2c(F)cc(Cl)cc2Br)CC1
InChIInChI=1S/C14H18BrClFNO/c1-10-2-4-18(5-3-10)6-7-19-14-12(15)8-11(16)9-13(14)17/h8-10H,2-7H2,1H3
InChIKeyKFCLOCMQXHATAS-UHFFFAOYSA-N
MW350.66 g/mol
LogP4.35
Rot. Bonds4

About 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine

1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine (PubChem CID 171109320) has the molecular formula C14H18BrClFNO and a molecular weight of 350.66 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine
PubChem CID171109320
Molecular FormulaC14H18BrClFNO
Molecular Weight350.66 g/mol
Exact Mass349.02
IUPAC Name1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine
SMILESCC1CCN(CCOc2c(F)cc(Cl)cc2Br)CC1
InChIInChI=1S/C14H18BrClFNO/c1-10-2-4-18(5-3-10)6-7-19-14-12(15)8-11(16)9-13(14)17/h8-10H,2-7H2,1H3
InChIKeyKFCLOCMQXHATAS-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.66
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]azetidine
CID 171109307
tert-butyl N-[1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]piperidin-4-yl]carbamate
CID 171109323
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine
CID 2995112
1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2269669
2-[2-[3-bromo-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethynyl]-5-(4-chlorophenyl)-3-fluoropyridine
CID 11635083
1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine
CID 91800441
1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine
CID 973313
4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine
CID 16616243
(3R)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905237
1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917465

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine (CID 171109320) is 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine is CC1CCN(CCOc2c(F)cc(Cl)cc2Br)CC1.
What is the InChIKey of 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine?
The InChIKey is KFCLOCMQXHATAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFNO/c1-10-2-4-18(5-3-10)6-7-19-14-12(15)8-11(16)9-13(14)17/h8-10H,2-7H2,1H3.
What are the key properties of 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine?
1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine has a molecular weight of 350.66 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-chloro-6-fluorophenoxy)ethyl]-4-methylpiperidine is sourced from PubChem (CID 171109320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).