2-[(3-bromophenyl)methyl]piperidine

C12H16BrN — CID 63085861

IUPAC2-[(3-bromophenyl)methyl]piperidine
SMILESBrc1cccc(CC2CCCCN2)c1
InChIInChI=1S/C12H16BrN/c13-11-5-3-4-10(8-11)9-12-6-1-2-7-14-12/h3-5,8,12,14H,1-2,6-7,9H2
InChIKeyMFHJYWWTKDBKNH-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.13
Rot. Bonds2

About 2-[(3-bromophenyl)methyl]piperidine

2-[(3-bromophenyl)methyl]piperidine (PubChem CID 63085861) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]piperidine
PubChem CID63085861
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name2-[(3-bromophenyl)methyl]piperidine
SMILESBrc1cccc(CC2CCCCN2)c1
InChIInChI=1S/C12H16BrN/c13-11-5-3-4-10(8-11)9-12-6-1-2-7-14-12/h3-5,8,12,14H,1-2,6-7,9H2
InChIKeyMFHJYWWTKDBKNH-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]piperidine?
The IUPAC name of 2-[(3-bromophenyl)methyl]piperidine (CID 63085861) is 2-[(3-bromophenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]piperidine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]piperidine is Brc1cccc(CC2CCCCN2)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]piperidine?
The InChIKey is MFHJYWWTKDBKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c13-11-5-3-4-10(8-11)9-12-6-1-2-7-14-12/h3-5,8,12,14H,1-2,6-7,9H2.
What are the key properties of 2-[(3-bromophenyl)methyl]piperidine?
2-[(3-bromophenyl)methyl]piperidine has a molecular weight of 254.17 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]piperidine is sourced from PubChem (CID 63085861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).