4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane

C18H26N4O — CID 138056244

IUPAC4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane
SMILESCOc1ccccc1C1CCCN(CCc2cn(C)nn2)CC1
InChIInChI=1S/C18H26N4O/c1-21-14-16(19-20-21)10-13-22-11-5-6-15(9-12-22)17-7-3-4-8-18(17)23-2/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3
InChIKeyMEIPKLLBRJLOTL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.64
Rot. Bonds5

About 4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane

4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane (PubChem CID 138056244) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane
PubChem CID138056244
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane
SMILESCOc1ccccc1C1CCCN(CCc2cn(C)nn2)CC1
InChIInChI=1S/C18H26N4O/c1-21-14-16(19-20-21)10-13-22-11-5-6-15(9-12-22)17-7-3-4-8-18(17)23-2/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3
InChIKeyMEIPKLLBRJLOTL-UHFFFAOYSA-N
XLogP2.64
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane 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

4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834526
2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
CID 138807451
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
5-methoxy-1-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 107054750
N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide
CID 139834877
5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 14819328
2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine
CID 69163958
3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91764234
4-(2-methoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 2802698

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane?
The IUPAC name of 4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane (CID 138056244) is 4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane is COc1ccccc1C1CCCN(CCc2cn(C)nn2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane?
The InChIKey is MEIPKLLBRJLOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21-14-16(19-20-21)10-13-22-11-5-6-15(9-12-22)17-7-3-4-8-18(17)23-2/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane?
4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane has a molecular weight of 314.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane is sourced from PubChem (CID 138056244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).