(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine

C13H18BrNO — CID 42579904

IUPAC(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine
SMILESCCOc1ccc(Br)cc1[C@H]1CCCCN1
InChIInChI=1S/C13H18BrNO/c1-2-16-13-7-6-10(14)9-11(13)12-5-3-4-8-15-12/h6-7,9,12,15H,2-5,8H2,1H3/t12-/m1/s1
InChIKeyGBHXWRIXBNBGGJ-GFCCVEGCSA-N
MW284.20 g/mol
LogP3.66
Rot. Bonds3

About (2R)-2-(5-bromo-2-ethoxyphenyl)piperidine

(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine (PubChem CID 42579904) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (2R)-2-(5-bromo-2-ethoxyphenyl)piperidine.

Molecular Properties

Compound Name(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine
PubChem CID42579904
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine
SMILESCCOc1ccc(Br)cc1[C@H]1CCCCN1
InChIInChI=1S/C13H18BrNO/c1-2-16-13-7-6-10(14)9-11(13)12-5-3-4-8-15-12/h6-7,9,12,15H,2-5,8H2,1H3/t12-/m1/s1
InChIKeyGBHXWRIXBNBGGJ-GFCCVEGCSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 171194884
2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 17389892
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
2-[4-bromo-2-(methoxymethyl)phenyl]piperidine
CID 117457372
4-bromo-2-piperidin-2-ylphenol
CID 82623427
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
2-(2,4-dibromophenyl)azepane
CID 107938538
(4R)-4-(5-bromo-2-ethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185097
(2R)-2-(2,5-dibromophenyl)pyrrolidine
CID 131190573
2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
CID 131597321
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromo-2-ethoxyphenyl)piperidine?
The IUPAC name of (2R)-2-(5-bromo-2-ethoxyphenyl)piperidine (CID 42579904) is (2R)-2-(5-bromo-2-ethoxyphenyl)piperidine.
What is the SMILES notation for (2R)-2-(5-bromo-2-ethoxyphenyl)piperidine?
The canonical SMILES for (2R)-2-(5-bromo-2-ethoxyphenyl)piperidine is CCOc1ccc(Br)cc1[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-(5-bromo-2-ethoxyphenyl)piperidine?
The InChIKey is GBHXWRIXBNBGGJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-2-16-13-7-6-10(14)9-11(13)12-5-3-4-8-15-12/h6-7,9,12,15H,2-5,8H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-(5-bromo-2-ethoxyphenyl)piperidine?
(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine has a molecular weight of 284.20 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromo-2-ethoxyphenyl)piperidine is sourced from PubChem (CID 42579904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).