(3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine

C17H18BrNO — CID 13039290

IUPAC(3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine
SMILESBrc1ccc(O[C@@H]2CCNC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H18BrNO/c18-14-6-8-15(9-7-14)20-17-10-11-19-12-16(17)13-4-2-1-3-5-13/h1-9,16-17,19H,10-12H2/t16-,17+/m0/s1
InChIKeyMBIIPIFNGHJWLE-DLBZAZTESA-N
MW332.24 g/mol
LogP3.97
Rot. Bonds3

About (3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine

(3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine (PubChem CID 13039290) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine.

Molecular Properties

Compound Name(3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine
PubChem CID13039290
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine
SMILESBrc1ccc(O[C@@H]2CCNC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H18BrNO/c18-14-6-8-15(9-7-14)20-17-10-11-19-12-16(17)13-4-2-1-3-5-13/h1-9,16-17,19H,10-12H2/t16-,17+/m0/s1
InChIKeyMBIIPIFNGHJWLE-DLBZAZTESA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine 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-phenyl-4-(4-propylphenoxy)piperidine
CID 91184219
but-2-enedioic acid;(3R,4R)-4-(4-fluorophenoxy)-3-phenylpiperidine
CID 70513906
(3R,4R)-4-methyl-3-phenylpiperidine
CID 129371451
4-ethyl-3-phenylpiperidine
CID 175022073
3-phenoxypiperidin-4-amine
CID 91441507
(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine
CID 131844495
7-[4-(4-ethoxyphenoxy)piperidin-3-yl]naphthalen-1-ol
CID 173058902
[(3R,4R)-4-phenylpiperidin-3-yl] acetate
CID 59674879
3-(4-bromophenyl)-4-thiophen-2-ylpiperidine
CID 79434668
3-(4-bromophenyl)-4-cyclopentylpiperidine
CID 79434969
(4R)-3-methyl-4-phenylpiperidine
CID 142163683
3-ethyl-4-phenylpiperidine
CID 56828112

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine?
The IUPAC name of (3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine (CID 13039290) is (3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine.
What is the SMILES notation for (3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine?
The canonical SMILES for (3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine is Brc1ccc(O[C@@H]2CCNC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine?
The InChIKey is MBIIPIFNGHJWLE-DLBZAZTESA-N. The full InChI is InChI=1S/C17H18BrNO/c18-14-6-8-15(9-7-14)20-17-10-11-19-12-16(17)13-4-2-1-3-5-13/h1-9,16-17,19H,10-12H2/t16-,17+/m0/s1.
What are the key properties of (3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine?
(3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine has a molecular weight of 332.24 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine is sourced from PubChem (CID 13039290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).