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

C12H15BrN2 — CID 523901

IUPACN-(4-bromophenyl)-1-piperidin-1-ylmethanimine
SMILESBrc1ccc(/N=C/N2CCCCC2)cc1
InChIInChI=1S/C12H15BrN2/c13-11-4-6-12(7-5-11)14-10-15-8-2-1-3-9-15/h4-7,10H,1-3,8-9H2/b14-10+
InChIKeyDEOHQMXRRBPMGV-GXDHUFHOSA-N
MW267.17 g/mol
LogP3.59
Rot. Bonds2

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

N-(4-bromophenyl)-1-piperidin-1-ylmethanimine (PubChem CID 523901) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-piperidin-1-ylmethanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-piperidin-1-ylmethanimine
PubChem CID523901
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC NameN-(4-bromophenyl)-1-piperidin-1-ylmethanimine
SMILESBrc1ccc(/N=C/N2CCCCC2)cc1
InChIInChI=1S/C12H15BrN2/c13-11-4-6-12(7-5-11)14-10-15-8-2-1-3-9-15/h4-7,10H,1-3,8-9H2/b14-10+
InChIKeyDEOHQMXRRBPMGV-GXDHUFHOSA-N
XLogP3.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-piperidin-1-ylmethanimine?
The IUPAC name of N-(4-bromophenyl)-1-piperidin-1-ylmethanimine (CID 523901) is N-(4-bromophenyl)-1-piperidin-1-ylmethanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-piperidin-1-ylmethanimine?
The canonical SMILES for N-(4-bromophenyl)-1-piperidin-1-ylmethanimine is Brc1ccc(/N=C/N2CCCCC2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-piperidin-1-ylmethanimine?
The InChIKey is DEOHQMXRRBPMGV-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H15BrN2/c13-11-4-6-12(7-5-11)14-10-15-8-2-1-3-9-15/h4-7,10H,1-3,8-9H2/b14-10+.
What are the key properties of N-(4-bromophenyl)-1-piperidin-1-ylmethanimine?
N-(4-bromophenyl)-1-piperidin-1-ylmethanimine has a molecular weight of 267.17 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-piperidin-1-ylmethanimine is sourced from PubChem (CID 523901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).