5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide

C13H20BrNO2 — CID 70558034

IUPAC5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide
SMILESBr.CCN1CCCC(c2cc(O)cc(O)c2)C1
InChIInChI=1S/C13H19NO2.BrH/c1-2-14-5-3-4-10(9-14)11-6-12(15)8-13(16)7-11;/h6-8,10,15-16H,2-5,9H2,1H3;1H
InChIKeyNPXIKCHEVSGCIG-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.88
Rot. Bonds2

About 5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide

5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide (PubChem CID 70558034) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide.

Molecular Properties

Compound Name5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide
PubChem CID70558034
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide
SMILESBr.CCN1CCCC(c2cc(O)cc(O)c2)C1
InChIInChI=1S/C13H19NO2.BrH/c1-2-14-5-3-4-10(9-14)11-6-12(15)8-13(16)7-11;/h6-8,10,15-16H,2-5,9H2,1H3;1H
InChIKeyNPXIKCHEVSGCIG-UHFFFAOYSA-N
XLogP2.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-1-butylpiperidin-3-yl]phenol
CID 12937975
(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine
CID 22856997
methyl 3-[(3S)-1-ethylpiperidin-3-yl]benzoate
CID 22856993
3-(1-ethylpiperidin-3-yl)imidazo[1,5-a]pyridin-6-ol
CID 117139032
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine
CID 90802411
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
3-phenyl-1-propylpiperidine
CID 12937946
2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115085637
ethane;1-ethyl-3-methylpiperidine
CID 91361629
1-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082600
4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine
CID 117105672
5-bromo-3-(1-ethylpiperidin-3-yl)-1H-pyridazin-6-one
CID 117105642

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide?
The IUPAC name of 5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide (CID 70558034) is 5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide.
What is the SMILES notation for 5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide?
The canonical SMILES for 5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide is Br.CCN1CCCC(c2cc(O)cc(O)c2)C1.
What is the InChIKey of 5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide?
The InChIKey is NPXIKCHEVSGCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.BrH/c1-2-14-5-3-4-10(9-14)11-6-12(15)8-13(16)7-11;/h6-8,10,15-16H,2-5,9H2,1H3;1H.
What are the key properties of 5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide?
5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide has a molecular weight of 302.21 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide is sourced from PubChem (CID 70558034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).