(E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine

C13H16Br2N2 — CID 6250920

IUPAC(E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine
SMILESBrC/C(=N/N1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H16Br2N2/c14-10-13(11-4-6-12(15)7-5-11)16-17-8-2-1-3-9-17/h4-7H,1-3,8-10H2/b16-13-
InChIKeyKAXANEVIQHRYOD-SSZFMOIBSA-N
MW360.09 g/mol
LogP4.03
Rot. Bonds3

About (E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine

(E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine (PubChem CID 6250920) has the molecular formula C13H16Br2N2 and a molecular weight of 360.09 g/mol. Its IUPAC name is (E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine.

Molecular Properties

Compound Name(E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine
PubChem CID6250920
Molecular FormulaC13H16Br2N2
Molecular Weight360.09 g/mol
Exact Mass357.97
IUPAC Name(E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine
SMILESBrC/C(=N/N1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H16Br2N2/c14-10-13(11-4-6-12(15)7-5-11)16-17-8-2-1-3-9-17/h4-7H,1-3,8-10H2/b16-13-
InChIKeyKAXANEVIQHRYOD-SSZFMOIBSA-N
XLogP4.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.09
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine?
The IUPAC name of (E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine (CID 6250920) is (E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine.
What is the SMILES notation for (E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine?
The canonical SMILES for (E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine is BrC/C(=N/N1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of (E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine?
The InChIKey is KAXANEVIQHRYOD-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H16Br2N2/c14-10-13(11-4-6-12(15)7-5-11)16-17-8-2-1-3-9-17/h4-7H,1-3,8-10H2/b16-13-.
What are the key properties of (E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine?
(E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine has a molecular weight of 360.09 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine is sourced from PubChem (CID 6250920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).