3-(3-bromophenyl)-5-methylpiperidine

C12H16BrN — CID 82381656

IUPAC3-(3-bromophenyl)-5-methylpiperidine
SMILESCC1CNCC(c2cccc(Br)c2)C1
InChIInChI=1S/C12H16BrN/c1-9-5-11(8-14-7-9)10-3-2-4-12(13)6-10/h2-4,6,9,11,14H,5,7-8H2,1H3
InChIKeyCLRVZJWLGMNQSX-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.16
Rot. Bonds1

About 3-(3-bromophenyl)-5-methylpiperidine

3-(3-bromophenyl)-5-methylpiperidine (PubChem CID 82381656) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-methylpiperidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-methylpiperidine
PubChem CID82381656
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name3-(3-bromophenyl)-5-methylpiperidine
SMILESCC1CNCC(c2cccc(Br)c2)C1
InChIInChI=1S/C12H16BrN/c1-9-5-11(8-14-7-9)10-3-2-4-12(13)6-10/h2-4,6,9,11,14H,5,7-8H2,1H3
InChIKeyCLRVZJWLGMNQSX-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(3-bromophenyl)piperidine;hydrochloride
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3-(3,5-difluorophenyl)-5-methylpiperidine
CID 115375231
2-(3-bromophenyl)-4-methylazetidine
CID 116822056
3-(3-bromophenyl)azetidine;4-methylbenzenesulfonic acid
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3-(3,4-diethoxyphenyl)-5-methylpiperidine
CID 115375240
N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline
CID 43633558
3-(2,3-difluorophenyl)-5-methylpiperidine
CID 115502757
3-(3-bromophenyl)cyclopentan-1-amine
CID 82129934
4-(3-bromophenyl)pyrrolidine-3-carbonitrile
CID 131149410
5-(3-bromophenyl)bicyclo[2.2.1]hept-2-ene
CID 69021771
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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-methylpiperidine?
The IUPAC name of 3-(3-bromophenyl)-5-methylpiperidine (CID 82381656) is 3-(3-bromophenyl)-5-methylpiperidine.
What is the SMILES notation for 3-(3-bromophenyl)-5-methylpiperidine?
The canonical SMILES for 3-(3-bromophenyl)-5-methylpiperidine is CC1CNCC(c2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)-5-methylpiperidine?
The InChIKey is CLRVZJWLGMNQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-9-5-11(8-14-7-9)10-3-2-4-12(13)6-10/h2-4,6,9,11,14H,5,7-8H2,1H3.
What are the key properties of 3-(3-bromophenyl)-5-methylpiperidine?
3-(3-bromophenyl)-5-methylpiperidine has a molecular weight of 254.17 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-methylpiperidine is sourced from PubChem (CID 82381656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).