(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine

C13H18BrNO2 — CID 94713053

IUPAC(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
SMILESCOc1cc([C@H]2CCCNC2)c(OC)cc1Br
InChIInChI=1S/C13H18BrNO2/c1-16-12-7-11(14)13(17-2)6-10(12)9-4-3-5-15-8-9/h6-7,9,15H,3-5,8H2,1-2H3/t9-/m0/s1
InChIKeyULJHXMHMDJQESG-VIFPVBQESA-N
MW300.20 g/mol
LogP2.93
Rot. Bonds3

About (3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine

(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine (PubChem CID 94713053) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is (3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
PubChem CID94713053
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
SMILESCOc1cc([C@H]2CCCNC2)c(OC)cc1Br
InChIInChI=1S/C13H18BrNO2/c1-16-12-7-11(14)13(17-2)6-10(12)9-4-3-5-15-8-9/h6-7,9,15H,3-5,8H2,1-2H3/t9-/m0/s1
InChIKeyULJHXMHMDJQESG-VIFPVBQESA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine
CID 117489901
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
CID 117430926
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
2-bromo-4-methoxy-6-piperidin-3-ylphenol
CID 117460908
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
(3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine
CID 178136922

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine?
The IUPAC name of (3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine (CID 94713053) is (3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine.
What is the SMILES notation for (3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine?
The canonical SMILES for (3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine is COc1cc([C@H]2CCCNC2)c(OC)cc1Br.
What is the InChIKey of (3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine?
The InChIKey is ULJHXMHMDJQESG-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-16-12-7-11(14)13(17-2)6-10(12)9-4-3-5-15-8-9/h6-7,9,15H,3-5,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine?
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine has a molecular weight of 300.20 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine is sourced from PubChem (CID 94713053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).