2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol

C15H22BrNO3 — CID 102677741

IUPAC2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol
SMILESCOc1cc(CN2CCC(C)C(OC)C2)cc(Br)c1O
InChIInChI=1S/C15H22BrNO3/c1-10-4-5-17(9-14(10)20-3)8-11-6-12(16)15(18)13(7-11)19-2/h6-7,10,14,18H,4-5,8-9H2,1-3H3
InChIKeyHDCPAFIDDGFMGW-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.02
Rot. Bonds4

About 2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol

2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol (PubChem CID 102677741) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol
PubChem CID102677741
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol
SMILESCOc1cc(CN2CCC(C)C(OC)C2)cc(Br)c1O
InChIInChI=1S/C15H22BrNO3/c1-10-4-5-17(9-14(10)20-3)8-11-6-12(16)15(18)13(7-11)19-2/h6-7,10,14,18H,4-5,8-9H2,1-3H3
InChIKeyHDCPAFIDDGFMGW-UHFFFAOYSA-N
XLogP3.02
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-bromo-6-methoxyphenol
CID 114960179
2-bromo-4-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-6-methoxyphenol
CID 30842642
2-bromo-4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-6-methoxyphenol
CID 110022595
2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263660
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 65056254
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 65053978
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-bromo-6-methoxyphenol
CID 82983196
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-2-bromo-6-methoxyphenol
CID 82964358
2-bromo-6-methoxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983263
(3S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 783278
4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol
CID 79986347
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 82956689

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol (CID 102677741) is 2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol is COc1cc(CN2CCC(C)C(OC)C2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol?
The InChIKey is HDCPAFIDDGFMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-10-4-5-17(9-14(10)20-3)8-11-6-12(16)15(18)13(7-11)19-2/h6-7,10,14,18H,4-5,8-9H2,1-3H3.
What are the key properties of 2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol?
2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol has a molecular weight of 344.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 102677741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).