4-(2-bromophenyl)-1-(3-methylphenyl)piperidine

C18H20BrN — CID 84608920

IUPAC4-(2-bromophenyl)-1-(3-methylphenyl)piperidine
SMILESCc1cccc(N2CCC(c3ccccc3Br)CC2)c1
InChIInChI=1S/C18H20BrN/c1-14-5-4-6-16(13-14)20-11-9-15(10-12-20)17-7-2-3-8-18(17)19/h2-8,13,15H,9-12H2,1H3
InChIKeyYZXYCQKMJGBEDV-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.14
Rot. Bonds2

About 4-(2-bromophenyl)-1-(3-methylphenyl)piperidine

4-(2-bromophenyl)-1-(3-methylphenyl)piperidine (PubChem CID 84608920) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1-(3-methylphenyl)piperidine.

Molecular Properties

Compound Name4-(2-bromophenyl)-1-(3-methylphenyl)piperidine
PubChem CID84608920
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name4-(2-bromophenyl)-1-(3-methylphenyl)piperidine
SMILESCc1cccc(N2CCC(c3ccccc3Br)CC2)c1
InChIInChI=1S/C18H20BrN/c1-14-5-4-6-16(13-14)20-11-9-15(10-12-20)17-7-2-3-8-18(17)19/h2-8,13,15H,9-12H2,1H3
InChIKeyYZXYCQKMJGBEDV-UHFFFAOYSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
3-(3-methylphenyl)-3,6-diazabicyclo[3.1.1]heptane
CID 84770848
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938
2-[1,3-bis(3-methylphenyl)imidazolidin-2-yl]phenol
CID 56698595
1-(3-methylphenyl)-N-propylpiperidin-4-amine
CID 43315485
(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009305
1-(3-methylphenyl)piperidine;propane
CID 143942273
1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine
CID 114870227
5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 66343054
1,1-dimethyl-4-(3-methylphenyl)piperazin-1-ium iodide
CID 11099608
4-bromo-N-[1-(3-methylphenyl)pyrrolidin-3-yl]-5,6,7,8-tetrahydroisoquinolin-8-amine
CID 167787045

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1-(3-methylphenyl)piperidine?
The IUPAC name of 4-(2-bromophenyl)-1-(3-methylphenyl)piperidine (CID 84608920) is 4-(2-bromophenyl)-1-(3-methylphenyl)piperidine.
What is the SMILES notation for 4-(2-bromophenyl)-1-(3-methylphenyl)piperidine?
The canonical SMILES for 4-(2-bromophenyl)-1-(3-methylphenyl)piperidine is Cc1cccc(N2CCC(c3ccccc3Br)CC2)c1.
What is the InChIKey of 4-(2-bromophenyl)-1-(3-methylphenyl)piperidine?
The InChIKey is YZXYCQKMJGBEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-14-5-4-6-16(13-14)20-11-9-15(10-12-20)17-7-2-3-8-18(17)19/h2-8,13,15H,9-12H2,1H3.
What are the key properties of 4-(2-bromophenyl)-1-(3-methylphenyl)piperidine?
4-(2-bromophenyl)-1-(3-methylphenyl)piperidine has a molecular weight of 330.27 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1-(3-methylphenyl)piperidine is sourced from PubChem (CID 84608920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).