1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine

C17H26BrNO — CID 67215099

IUPAC1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine
SMILESCC1(C)CCCN(CCOc2ccccc2Br)C1(C)C
InChIInChI=1S/C17H26BrNO/c1-16(2)10-7-11-19(17(16,3)4)12-13-20-15-9-6-5-8-14(15)18/h5-6,8-9H,7,10-13H2,1-4H3
InChIKeyJDGCTWKPNCYJRW-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.73
Rot. Bonds4

About 1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine

1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine (PubChem CID 67215099) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine.

Molecular Properties

Compound Name1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine
PubChem CID67215099
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine
SMILESCC1(C)CCCN(CCOc2ccccc2Br)C1(C)C
InChIInChI=1S/C17H26BrNO/c1-16(2)10-7-11-19(17(16,3)4)12-13-20-15-9-6-5-8-14(15)18/h5-6,8-9H,7,10-13H2,1-4H3
InChIKeyJDGCTWKPNCYJRW-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
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(2R,5R)-1-[2-(2-bromophenoxy)ethyl]-2,5-dimethyl-2,5-dihydropyrrole
CID 91216513
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine
CID 31196285
[(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol
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CID 84597116
1-bromo-2-[(3,3-dimethylcyclobutyl)methoxy]benzene
CID 99992058
1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
CID 141005343
(1S)-1-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]ethanol
CID 97160833
1-[3-(2-bromophenoxy)propyl]-3-methylpiperazine;dihydrochloride
CID 170456446
1-[3-(2-bromophenoxy)propyl]piperidin-4-one
CID 39452155

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine?
The IUPAC name of 1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine (CID 67215099) is 1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine.
What is the SMILES notation for 1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine?
The canonical SMILES for 1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine is CC1(C)CCCN(CCOc2ccccc2Br)C1(C)C.
What is the InChIKey of 1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine?
The InChIKey is JDGCTWKPNCYJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-16(2)10-7-11-19(17(16,3)4)12-13-20-15-9-6-5-8-14(15)18/h5-6,8-9H,7,10-13H2,1-4H3.
What are the key properties of 1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine?
1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine has a molecular weight of 340.31 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine is sourced from PubChem (CID 67215099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).