4-(4-methoxyphenyl)-1,3-diazinane

C11H16N2O — CID 123665094

IUPAC4-(4-methoxyphenyl)-1,3-diazinane
SMILESCOc1ccc(C2CCNCN2)cc1
InChIInChI=1S/C11H16N2O/c1-14-10-4-2-9(3-5-10)11-6-7-12-8-13-11/h2-5,11-13H,6-8H2,1H3
InChIKeyIOLCFCKIGAHRCS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.28
Rot. Bonds2

About 4-(4-methoxyphenyl)-1,3-diazinane

4-(4-methoxyphenyl)-1,3-diazinane (PubChem CID 123665094) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1,3-diazinane.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1,3-diazinane
PubChem CID123665094
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(4-methoxyphenyl)-1,3-diazinane
SMILESCOc1ccc(C2CCNCN2)cc1
InChIInChI=1S/C11H16N2O/c1-14-10-4-2-9(3-5-10)11-6-7-12-8-13-11/h2-5,11-13H,6-8H2,1H3
InChIKeyIOLCFCKIGAHRCS-UHFFFAOYSA-N
XLogP1.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-methoxyphenyl)-1,4-diazocane
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(4S)-4-(4-methoxyphenyl)azepane
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(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
3-(4-methoxyphenyl)piperidine
CID 12937920
4-(4-methoxyphenyl)-1,3-oxazolidine
CID 86040633
7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
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3-(4-fluorophenyl)-4-(4-methoxyphenyl)piperidine
CID 79433103

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1,3-diazinane?
The IUPAC name of 4-(4-methoxyphenyl)-1,3-diazinane (CID 123665094) is 4-(4-methoxyphenyl)-1,3-diazinane.
What is the SMILES notation for 4-(4-methoxyphenyl)-1,3-diazinane?
The canonical SMILES for 4-(4-methoxyphenyl)-1,3-diazinane is COc1ccc(C2CCNCN2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1,3-diazinane?
The InChIKey is IOLCFCKIGAHRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-14-10-4-2-9(3-5-10)11-6-7-12-8-13-11/h2-5,11-13H,6-8H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1,3-diazinane?
4-(4-methoxyphenyl)-1,3-diazinane has a molecular weight of 192.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1,3-diazinane is sourced from PubChem (CID 123665094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).