2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol

C16H24BrNO2 — CID 82986221

IUPAC2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol
SMILESCCOc1cc(CN2CCCC(C)C2C)cc(Br)c1O
InChIInChI=1S/C16H24BrNO2/c1-4-20-15-9-13(8-14(17)16(15)19)10-18-7-5-6-11(2)12(18)3/h8-9,11-12,19H,4-7,10H2,1-3H3
InChIKeySUUXARHSWCVYMR-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.17
Rot. Bonds4

About 2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol

2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol (PubChem CID 82986221) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol
PubChem CID82986221
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol
SMILESCCOc1cc(CN2CCCC(C)C2C)cc(Br)c1O
InChIInChI=1S/C16H24BrNO2/c1-4-20-15-9-13(8-14(17)16(15)19)10-18-7-5-6-11(2)12(18)3/h8-9,11-12,19H,4-7,10H2,1-3H3
InChIKeySUUXARHSWCVYMR-UHFFFAOYSA-N
XLogP4.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 107740241
(2S,3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 167949979
2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 82958644
1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
CID 131020830
1-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036622
[4-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methanol
CID 112631290
2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol
CID 102677741
2-ethoxy-4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 783162
2-bromo-6-ethoxy-4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenol
CID 82958626
4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-bromo-6-methoxyphenol
CID 114960179
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040420
4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
CID 79020961

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol?
The IUPAC name of 2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol (CID 82986221) is 2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol?
The canonical SMILES for 2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol is CCOc1cc(CN2CCCC(C)C2C)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol?
The InChIKey is SUUXARHSWCVYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-4-20-15-9-13(8-14(17)16(15)19)10-18-7-5-6-11(2)12(18)3/h8-9,11-12,19H,4-7,10H2,1-3H3.
What are the key properties of 2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol?
2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol has a molecular weight of 342.28 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol is sourced from PubChem (CID 82986221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).