(2R,5S)-2-(2-bromophenyl)-5-methylpiperidine

C12H16BrN — CID 171755990

IUPAC(2R,5S)-2-(2-bromophenyl)-5-methylpiperidine
SMILESC[C@H]1CC[C@H](c2ccccc2Br)NC1
InChIInChI=1S/C12H16BrN/c1-9-6-7-12(14-8-9)10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-8H2,1H3/t9-,12+/m0/s1
InChIKeyXSEYJLJYAZZATR-JOYOIKCWSA-N
MW254.17 g/mol
LogP3.51
Rot. Bonds1

About (2R,5S)-2-(2-bromophenyl)-5-methylpiperidine

(2R,5S)-2-(2-bromophenyl)-5-methylpiperidine (PubChem CID 171755990) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is (2R,5S)-2-(2-bromophenyl)-5-methylpiperidine.

Molecular Properties

Compound Name(2R,5S)-2-(2-bromophenyl)-5-methylpiperidine
PubChem CID171755990
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name(2R,5S)-2-(2-bromophenyl)-5-methylpiperidine
SMILESC[C@H]1CC[C@H](c2ccccc2Br)NC1
InChIInChI=1S/C12H16BrN/c1-9-6-7-12(14-8-9)10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-8H2,1H3/t9-,12+/m0/s1
InChIKeyXSEYJLJYAZZATR-JOYOIKCWSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(2-bromophenyl)-5-methylpiperidine?
The IUPAC name of (2R,5S)-2-(2-bromophenyl)-5-methylpiperidine (CID 171755990) is (2R,5S)-2-(2-bromophenyl)-5-methylpiperidine.
What is the SMILES notation for (2R,5S)-2-(2-bromophenyl)-5-methylpiperidine?
The canonical SMILES for (2R,5S)-2-(2-bromophenyl)-5-methylpiperidine is C[C@H]1CC[C@H](c2ccccc2Br)NC1.
What is the InChIKey of (2R,5S)-2-(2-bromophenyl)-5-methylpiperidine?
The InChIKey is XSEYJLJYAZZATR-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H16BrN/c1-9-6-7-12(14-8-9)10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-8H2,1H3/t9-,12+/m0/s1.
What are the key properties of (2R,5S)-2-(2-bromophenyl)-5-methylpiperidine?
(2R,5S)-2-(2-bromophenyl)-5-methylpiperidine has a molecular weight of 254.17 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(2-bromophenyl)-5-methylpiperidine is sourced from PubChem (CID 171755990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).