4-(4-bromo-3-methylphenyl)-3-propylpiperidine

C15H22BrN — CID 79321007

IUPAC4-(4-bromo-3-methylphenyl)-3-propylpiperidine
SMILESCCCC1CNCCC1c1ccc(Br)c(C)c1
InChIInChI=1S/C15H22BrN/c1-3-4-13-10-17-8-7-14(13)12-5-6-15(16)11(2)9-12/h5-6,9,13-14,17H,3-4,7-8,10H2,1-2H3
InChIKeyLEORBGCXOCMMGE-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.25
Rot. Bonds3

About 4-(4-bromo-3-methylphenyl)-3-propylpiperidine

4-(4-bromo-3-methylphenyl)-3-propylpiperidine (PubChem CID 79321007) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenyl)-3-propylpiperidine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenyl)-3-propylpiperidine
PubChem CID79321007
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name4-(4-bromo-3-methylphenyl)-3-propylpiperidine
SMILESCCCC1CNCCC1c1ccc(Br)c(C)c1
InChIInChI=1S/C15H22BrN/c1-3-4-13-10-17-8-7-14(13)12-5-6-15(16)11(2)9-12/h5-6,9,13-14,17H,3-4,7-8,10H2,1-2H3
InChIKeyLEORBGCXOCMMGE-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-cyclopropylphenyl)-3-propylpiperidine
CID 79978393
4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine
CID 79433373
4-(3-chlorophenyl)-3-propylpiperidine
CID 79321401
2-methyl-5-(3-propylpiperidin-4-yl)pyridine
CID 104824038
4-(4-phenylphenyl)-3-propylpiperidine
CID 79310826
4-(3-bromothiophen-2-yl)-3-propylpiperidine
CID 115381531
3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 79320434
4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine
CID 79430023
2-methoxy-5-(3-propylpiperidin-4-yl)pyridine
CID 114938886
(3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine
CID 124562401
3-ethyl-4-phenylpiperidine
CID 56828112
4-(3,5-dichlorophenyl)-3-ethylpiperidine
CID 79310849

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenyl)-3-propylpiperidine?
The IUPAC name of 4-(4-bromo-3-methylphenyl)-3-propylpiperidine (CID 79321007) is 4-(4-bromo-3-methylphenyl)-3-propylpiperidine.
What is the SMILES notation for 4-(4-bromo-3-methylphenyl)-3-propylpiperidine?
The canonical SMILES for 4-(4-bromo-3-methylphenyl)-3-propylpiperidine is CCCC1CNCCC1c1ccc(Br)c(C)c1.
What is the InChIKey of 4-(4-bromo-3-methylphenyl)-3-propylpiperidine?
The InChIKey is LEORBGCXOCMMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-3-4-13-10-17-8-7-14(13)12-5-6-15(16)11(2)9-12/h5-6,9,13-14,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 4-(4-bromo-3-methylphenyl)-3-propylpiperidine?
4-(4-bromo-3-methylphenyl)-3-propylpiperidine has a molecular weight of 296.25 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenyl)-3-propylpiperidine is sourced from PubChem (CID 79321007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).