4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine

C14H20BrNO2 — CID 79321380

IUPAC4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine
SMILESCOc1cc(Br)c(C2CCNCC2C)cc1OC
InChIInChI=1S/C14H20BrNO2/c1-9-8-16-5-4-10(9)11-6-13(17-2)14(18-3)7-12(11)15/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeySLUVUJWIMUOUJI-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.18
Rot. Bonds3

About 4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine

4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine (PubChem CID 79321380) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine
PubChem CID79321380
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine
SMILESCOc1cc(Br)c(C2CCNCC2C)cc1OC
InChIInChI=1S/C14H20BrNO2/c1-9-8-16-5-4-10(9)11-6-13(17-2)14(18-3)7-12(11)15/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeySLUVUJWIMUOUJI-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine
CID 79320890
4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine
CID 114502183
4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole
CID 114501337
2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]benzoic acid
CID 58617157
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
2-(2,4-dibromo-5-methoxyphenyl)azetidine
CID 130043119
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
4-(2-ethoxyphenyl)-3-methylpiperidine
CID 66280150
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrrolidine
CID 79403216
7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10402279

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine?
The IUPAC name of 4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine (CID 79321380) is 4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine.
What is the SMILES notation for 4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine?
The canonical SMILES for 4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine is COc1cc(Br)c(C2CCNCC2C)cc1OC.
What is the InChIKey of 4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine?
The InChIKey is SLUVUJWIMUOUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9-8-16-5-4-10(9)11-6-13(17-2)14(18-3)7-12(11)15/h6-7,9-10,16H,4-5,8H2,1-3H3.
What are the key properties of 4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine?
4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine has a molecular weight of 314.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine is sourced from PubChem (CID 79321380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).