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

C14H18Br2N2O — CID 135598114

IUPAC2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol
SMILESCCN1CCC(/N=C/c2cc(Br)cc(Br)c2O)CC1
InChIInChI=1S/C14H18Br2N2O/c1-2-18-5-3-12(4-6-18)17-9-10-7-11(15)8-13(16)14(10)19/h7-9,12,19H,2-6H2,1H3/b17-9+
InChIKeyNKOZMJIZZRYBOU-RQZCQDPDSA-N
MW390.12 g/mol
LogP3.82
Rot. Bonds3

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

2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol (PubChem CID 135598114) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is 2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol
PubChem CID135598114
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol
SMILESCCN1CCC(/N=C/c2cc(Br)cc(Br)c2O)CC1
InChIInChI=1S/C14H18Br2N2O/c1-2-18-5-3-12(4-6-18)17-9-10-7-11(15)8-13(16)14(10)19/h7-9,12,19H,2-6H2,1H3/b17-9+
InChIKeyNKOZMJIZZRYBOU-RQZCQDPDSA-N
XLogP3.82
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 1378307
2-[(Benzylimino)methyl]-4,6-dibromobenzenol
CID 1241574
2-{[(E)-4-Benzyl-piperazin-1-ylimino]-methyl}-4,6-dibromo-phenol
CID 135517127
2,4-dibromo-6-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
CID 135521598
2,6-dibromo-4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
CID 135521509
CID 4849185
CID 4849185
4-Bromo-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one
CID 300886
4-Bromo-2-({[2-(1-cyclohexen-1-yl)ethyl]imino}methyl)phenol
CID 4027763
2,4-Dibromo-6-(methyliminomethyl)phenol
CID 136501183
(2S)-2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methyl-1-piperidin-1-ylbutan-1-one
CID 137282738
2,4-Dibromo-6-[[[4-(phenylmethyl)-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,4-dienone
CID 1544274
2,4-Dibromo-6-[[(2,6-dimethyl-1-piperidinyl)amino]methylidene]-1-cyclohexa-2,4-dienone
CID 4021787

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol (CID 135598114) is 2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol is CCN1CCC(/N=C/c2cc(Br)cc(Br)c2O)CC1.
What is the InChIKey of 2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol?
The InChIKey is NKOZMJIZZRYBOU-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-2-18-5-3-12(4-6-18)17-9-10-7-11(15)8-13(16)14(10)19/h7-9,12,19H,2-6H2,1H3/b17-9+.
What are the key properties of 2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol?
2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol has a molecular weight of 390.12 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol is sourced from PubChem (CID 135598114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).