2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol

C14H18Br2N2O — CID 4021787

IUPAC2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
SMILESCC1CCCC(C)N1N=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H18Br2N2O/c1-9-4-3-5-10(2)18(9)17-8-11-6-12(15)7-13(16)14(11)19/h6-10,19H,3-5H2,1-2H3
InChIKeyHCKUBOUDEFJALS-UHFFFAOYSA-N
MW390.12 g/mol
LogP4.51
Rot. Bonds2

About 2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol

2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol (PubChem CID 4021787) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is 2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
PubChem CID4021787
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
SMILESCC1CCCC(C)N1N=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H18Br2N2O/c1-9-4-3-5-10(2)18(9)17-8-11-6-12(15)7-13(16)14(11)19/h6-10,19H,3-5H2,1-2H3
InChIKeyHCKUBOUDEFJALS-UHFFFAOYSA-N
XLogP4.51
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol (CID 4021787) is 2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol is CC1CCCC(C)N1N=Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol?
The InChIKey is HCKUBOUDEFJALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-9-4-3-5-10(2)18(9)17-8-11-6-12(15)7-13(16)14(11)19/h6-10,19H,3-5H2,1-2H3.
What are the key properties of 2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol?
2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol has a molecular weight of 390.12 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 4021787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).