2-(3-bromo-4-pentan-3-ylphenyl)piperidine

C16H24BrN — CID 117495247

IUPAC2-(3-bromo-4-pentan-3-ylphenyl)piperidine
SMILESCCC(CC)c1ccc(C2CCCCN2)cc1Br
InChIInChI=1S/C16H24BrN/c1-3-12(4-2)14-9-8-13(11-15(14)17)16-7-5-6-10-18-16/h8-9,11-12,16,18H,3-7,10H2,1-2H3
InChIKeyWAKVTTCWKOAEKY-UHFFFAOYSA-N
MW310.28 g/mol
LogP5.17
Rot. Bonds4

About 2-(3-bromo-4-pentan-3-ylphenyl)piperidine

2-(3-bromo-4-pentan-3-ylphenyl)piperidine (PubChem CID 117495247) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-(3-bromo-4-pentan-3-ylphenyl)piperidine.

Molecular Properties

Compound Name2-(3-bromo-4-pentan-3-ylphenyl)piperidine
PubChem CID117495247
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name2-(3-bromo-4-pentan-3-ylphenyl)piperidine
SMILESCCC(CC)c1ccc(C2CCCCN2)cc1Br
InChIInChI=1S/C16H24BrN/c1-3-12(4-2)14-9-8-13(11-15(14)17)16-7-5-6-10-18-16/h8-9,11-12,16,18H,3-7,10H2,1-2H3
InChIKeyWAKVTTCWKOAEKY-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.28
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
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CID 130699877
2-(3-fluoro-4-propan-2-ylphenyl)piperidine
CID 84788156
2-(3-pentan-3-ylphenyl)pyrrolidine
CID 83836317
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine
CID 117480672
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
2-(4-bromo-3-iodophenyl)pyrrolidine
CID 130043760
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
CID 117493208
2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine
CID 117483845

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-pentan-3-ylphenyl)piperidine?
The IUPAC name of 2-(3-bromo-4-pentan-3-ylphenyl)piperidine (CID 117495247) is 2-(3-bromo-4-pentan-3-ylphenyl)piperidine.
What is the SMILES notation for 2-(3-bromo-4-pentan-3-ylphenyl)piperidine?
The canonical SMILES for 2-(3-bromo-4-pentan-3-ylphenyl)piperidine is CCC(CC)c1ccc(C2CCCCN2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-pentan-3-ylphenyl)piperidine?
The InChIKey is WAKVTTCWKOAEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-3-12(4-2)14-9-8-13(11-15(14)17)16-7-5-6-10-18-16/h8-9,11-12,16,18H,3-7,10H2,1-2H3.
What are the key properties of 2-(3-bromo-4-pentan-3-ylphenyl)piperidine?
2-(3-bromo-4-pentan-3-ylphenyl)piperidine has a molecular weight of 310.28 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-pentan-3-ylphenyl)piperidine is sourced from PubChem (CID 117495247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).