(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine

C13H18BrNO — CID 26190956

IUPAC(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
SMILESCc1cc(Br)ccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C13H18BrNO/c1-10-7-12(14)4-5-13(10)16-9-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyLSEHVYIJEZGXFV-LLVKDONJSA-N
MW284.20 g/mol
LogP3.14
Rot. Bonds3

About (3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine

(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine (PubChem CID 26190956) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
PubChem CID26190956
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
SMILESCc1cc(Br)ccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C13H18BrNO/c1-10-7-12(14)4-5-13(10)16-9-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyLSEHVYIJEZGXFV-LLVKDONJSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[(4-bromo-2-methylphenoxy)methyl]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

3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
CID 56831044
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
3-[(4-bromo-2-nitrophenoxy)methyl]piperidine
CID 55211128
(3S)-3-(4-bromo-2-methylphenoxy)piperidine
CID 26191633
(3S)-3-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 86321601
(3S)-3-[(4-iodo-2-methylphenoxy)methyl]pyrrolidine;hydrochloride
CID 166175538
(3S)-3-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86320109
3-[(4-bromo-3-methylphenoxy)methyl]piperidine;hydrochloride
CID 56830761
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine
CID 62341089
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine?
The IUPAC name of (3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine (CID 26190956) is (3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine.
What is the SMILES notation for (3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine?
The canonical SMILES for (3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine is Cc1cc(Br)ccc1OC[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine?
The InChIKey is LSEHVYIJEZGXFV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10-7-12(14)4-5-13(10)16-9-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine?
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine has a molecular weight of 284.20 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine is sourced from PubChem (CID 26190956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).