7-(4-methoxyphenyl)-1-methyl-1,4-diazepane

C13H20N2O — CID 82286366

IUPAC7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
SMILESCOc1ccc(C2CCNCCN2C)cc1
InChIInChI=1S/C13H20N2O/c1-15-10-9-14-8-7-13(15)11-3-5-12(16-2)6-4-11/h3-6,13-14H,7-10H2,1-2H3
InChIKeyUGILWVSEDXQUHV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.66
Rot. Bonds2

About 7-(4-methoxyphenyl)-1-methyl-1,4-diazepane

7-(4-methoxyphenyl)-1-methyl-1,4-diazepane (PubChem CID 82286366) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
PubChem CID82286366
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
SMILESCOc1ccc(C2CCNCCN2C)cc1
InChIInChI=1S/C13H20N2O/c1-15-10-9-14-8-7-13(15)11-3-5-12(16-2)6-4-11/h3-6,13-14H,7-10H2,1-2H3
InChIKeyUGILWVSEDXQUHV-UHFFFAOYSA-N
XLogP1.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
CID 82665869
7-(3-chloro-4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82623320
2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine
CID 54238454
7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane
CID 82665866
7-(3-ethoxyphenyl)-1-methyl-1,4-diazepane
CID 82290812
(4S)-4-(4-methoxyphenyl)azepane
CID 95439149
1-methyl-2-(4-propoxyphenyl)piperazine
CID 82290917
7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane
CID 82666973
2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine
CID 82666177
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119313376
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-1-methyl-1,4-diazepane?
The IUPAC name of 7-(4-methoxyphenyl)-1-methyl-1,4-diazepane (CID 82286366) is 7-(4-methoxyphenyl)-1-methyl-1,4-diazepane.
What is the SMILES notation for 7-(4-methoxyphenyl)-1-methyl-1,4-diazepane?
The canonical SMILES for 7-(4-methoxyphenyl)-1-methyl-1,4-diazepane is COc1ccc(C2CCNCCN2C)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-1-methyl-1,4-diazepane?
The InChIKey is UGILWVSEDXQUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-10-9-14-8-7-13(15)11-3-5-12(16-2)6-4-11/h3-6,13-14H,7-10H2,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-1-methyl-1,4-diazepane?
7-(4-methoxyphenyl)-1-methyl-1,4-diazepane has a molecular weight of 220.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-1-methyl-1,4-diazepane is sourced from PubChem (CID 82286366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).