1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine

C13H17BrN2 — CID 23525898

IUPAC1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine
SMILESC/N=C(\c1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C13H17BrN2/c1-15-13(11-6-8-16-9-7-11)10-2-4-12(14)5-3-10/h2-5,11,16H,6-9H2,1H3/b15-13+
InChIKeyLYMLVIFLDJZXBD-FYWRMAATSA-N
MW281.20 g/mol
LogP2.87
Rot. Bonds2

About 1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine

1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine (PubChem CID 23525898) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine
PubChem CID23525898
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine
SMILESC/N=C(\c1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C13H17BrN2/c1-15-13(11-6-8-16-9-7-11)10-2-4-12(14)5-3-10/h2-5,11,16H,6-9H2,1H3/b15-13+
InChIKeyLYMLVIFLDJZXBD-FYWRMAATSA-N
XLogP2.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine (CID 23525898) is 1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine is C/N=C(\c1ccc(Br)cc1)C1CCNCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine?
The InChIKey is LYMLVIFLDJZXBD-FYWRMAATSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-15-13(11-6-8-16-9-7-11)10-2-4-12(14)5-3-10/h2-5,11,16H,6-9H2,1H3/b15-13+.
What are the key properties of 1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine?
1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine has a molecular weight of 281.20 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-1-piperidin-4-ylmethanimine is sourced from PubChem (CID 23525898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).