3-(3-bromo-4-methylphenyl)piperidine

C12H16BrN — CID 82381644

IUPAC3-(3-bromo-4-methylphenyl)piperidine
SMILESCc1ccc(C2CCCNC2)cc1Br
InChIInChI=1S/C12H16BrN/c1-9-4-5-10(7-12(9)13)11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8H2,1H3
InChIKeyFKJRSLMUYLBPAN-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.22
Rot. Bonds1

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

3-(3-bromo-4-methylphenyl)piperidine (PubChem CID 82381644) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 3-(3-bromo-4-methylphenyl)piperidine.

Molecular Properties

Compound Name3-(3-bromo-4-methylphenyl)piperidine
PubChem CID82381644
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name3-(3-bromo-4-methylphenyl)piperidine
SMILESCc1ccc(C2CCCNC2)cc1Br
InChIInChI=1S/C12H16BrN/c1-9-4-5-10(7-12(9)13)11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8H2,1H3
InChIKeyFKJRSLMUYLBPAN-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-piperidin-3-ylaniline
CID 130039466
2-bromo-4-cyclopropyl-1-methylbenzene
CID 66521055
2-methyl-4-piperidin-3-ylphenol
CID 84663479
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
2-bromo-4-pyrrolidin-3-ylphenol
CID 82622109
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
3-(3-ethyl-4-methylphenyl)pyrrolidine
CID 84662276
N,N,2-trimethyl-5-pyrrolidin-3-ylaniline
CID 117116674
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methylphenyl)piperidine?
The IUPAC name of 3-(3-bromo-4-methylphenyl)piperidine (CID 82381644) is 3-(3-bromo-4-methylphenyl)piperidine.
What is the SMILES notation for 3-(3-bromo-4-methylphenyl)piperidine?
The canonical SMILES for 3-(3-bromo-4-methylphenyl)piperidine is Cc1ccc(C2CCCNC2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methylphenyl)piperidine?
The InChIKey is FKJRSLMUYLBPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-9-4-5-10(7-12(9)13)11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8H2,1H3.
What are the key properties of 3-(3-bromo-4-methylphenyl)piperidine?
3-(3-bromo-4-methylphenyl)piperidine has a molecular weight of 254.17 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methylphenyl)piperidine is sourced from PubChem (CID 82381644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).