4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol

C18H20F2N2O2 — CID 71535785

IUPAC4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
SMILESOc1ccc(F)cc1CN1CCCN(Cc2cc(F)ccc2O)C1
InChIInChI=1S/C18H20F2N2O2/c19-15-2-4-17(23)13(8-15)10-21-6-1-7-22(12-21)11-14-9-16(20)3-5-18(14)24/h2-5,8-9,23-24H,1,6-7,10-12H2
InChIKeyUGDUDTKTGUDGHZ-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.04
Rot. Bonds4

About 4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol

4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol (PubChem CID 71535785) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
PubChem CID71535785
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
SMILESOc1ccc(F)cc1CN1CCCN(Cc2cc(F)ccc2O)C1
InChIInChI=1S/C18H20F2N2O2/c19-15-2-4-17(23)13(8-15)10-21-6-1-7-22(12-21)11-14-9-16(20)3-5-18(14)24/h2-5,8-9,23-24H,1,6-7,10-12H2
InChIKeyUGDUDTKTGUDGHZ-UHFFFAOYSA-N
XLogP3.04
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2-Hydroxy-phenyl)-[4-(2-hydroxy-thiobenzoyl)-piperazin-1-yl]-methanethione
CID 586440
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N,N'-Bis-(2-hydroxybenzyl)-hexamethylenediamine
CID 1957305
2-[[3-[(2-Hydroxyphenyl)methylamino]propylamino]methyl]phenol
CID 2283723
2-hydroxy-N-(1-phenylcyclohexyl)piperidine
CID 134225
2-[[3-[(2-Hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
CID 745587
Phenol, 2,2'-[1,4-butanediylbis(iminomethylene)]bis-
CID 12049163
2-[[5-[(2-Hydroxyphenyl)methylamino]pentylamino]methyl]phenol
CID 16078837
2-{[3-(2-Hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl}phenol
CID 16189509
4-{[Ethyl({1-[2-(3-fluorophenyl)ethyl]-3-piperidinyl}methyl)amino]methyl}phenol
CID 23723462
2-[[9-[(3-Methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenol
CID 44522124
2-(Piperidin-1-ylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]phenol;hydrochloride
CID 122184324

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol (CID 71535785) is 4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol is Oc1ccc(F)cc1CN1CCCN(Cc2cc(F)ccc2O)C1.
What is the InChIKey of 4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol?
The InChIKey is UGDUDTKTGUDGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-15-2-4-17(23)13(8-15)10-21-6-1-7-22(12-21)11-14-9-16(20)3-5-18(14)24/h2-5,8-9,23-24H,1,6-7,10-12H2.
What are the key properties of 4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol?
4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol has a molecular weight of 334.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol is sourced from PubChem (CID 71535785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).