3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine

C19H22BrN — CID 79431218

IUPAC3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine
SMILESCCc1ccccc1C1CCNCC1c1cccc(Br)c1
InChIInChI=1S/C19H22BrN/c1-2-14-6-3-4-9-17(14)18-10-11-21-13-19(18)15-7-5-8-16(20)12-15/h3-9,12,18-19,21H,2,10-11,13H2,1H3
InChIKeyMCVPXKGVXXGVCS-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.87
Rot. Bonds3

About 3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine

3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine (PubChem CID 79431218) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine
PubChem CID79431218
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine
SMILESCCc1ccccc1C1CCNCC1c1cccc(Br)c1
InChIInChI=1S/C19H22BrN/c1-2-14-6-3-4-9-17(14)18-10-11-21-13-19(18)15-7-5-8-16(20)12-15/h3-9,12,18-19,21H,2,10-11,13H2,1H3
InChIKeyMCVPXKGVXXGVCS-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine?
The IUPAC name of 3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine (CID 79431218) is 3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine.
What is the SMILES notation for 3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine?
The canonical SMILES for 3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine is CCc1ccccc1C1CCNCC1c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine?
The InChIKey is MCVPXKGVXXGVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-2-14-6-3-4-9-17(14)18-10-11-21-13-19(18)15-7-5-8-16(20)12-15/h3-9,12,18-19,21H,2,10-11,13H2,1H3.
What are the key properties of 3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine?
3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine has a molecular weight of 344.30 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine is sourced from PubChem (CID 79431218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).