(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine

C14H20BrNO — CID 783360

IUPAC(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
SMILESCOc1ccc(CN2CCC[C@@H](C)C2)cc1Br
InChIInChI=1S/C14H20BrNO/c1-11-4-3-7-16(9-11)10-12-5-6-14(17-2)13(15)8-12/h5-6,8,11H,3-4,7,9-10H2,1-2H3/t11-/m1/s1
InChIKeySOPHUYPTIQHZET-LLVKDONJSA-N
MW298.22 g/mol
LogP3.69
Rot. Bonds3

About (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine

(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine (PubChem CID 783360) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
PubChem CID783360
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
SMILESCOc1ccc(CN2CCC[C@@H](C)C2)cc1Br
InChIInChI=1S/C14H20BrNO/c1-11-4-3-7-16(9-11)10-12-5-6-14(17-2)13(15)8-12/h5-6,8,11H,3-4,7,9-10H2,1-2H3/t11-/m1/s1
InChIKeySOPHUYPTIQHZET-LLVKDONJSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine 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

1-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-3-methylpiperidine
CID 171369466
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine
CID 113235650
1-[(3-bromo-4-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 64859030
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115301915
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpyrrolidine
CID 112695958
4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 60705276
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388236
1-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropiperidine
CID 63389605
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
CID 155556362
1-[(3-bromo-4-methoxyphenyl)methyl]-4,4-dimethylazepane
CID 65282649

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine (CID 783360) is (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine is COc1ccc(CN2CCC[C@@H](C)C2)cc1Br.
What is the InChIKey of (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine?
The InChIKey is SOPHUYPTIQHZET-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11-4-3-7-16(9-11)10-12-5-6-14(17-2)13(15)8-12/h5-6,8,11H,3-4,7,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine?
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine has a molecular weight of 298.22 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 783360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).