4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane

C17H27N3O — CID 103983150

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
SMILESCOc1ccccc1N1CCN(C2CCCNCC2)CC1
InChIInChI=1S/C17H27N3O/c1-21-17-7-3-2-6-16(17)20-13-11-19(12-14-20)15-5-4-9-18-10-8-15/h2-3,6-7,15,18H,4-5,8-14H2,1H3
InChIKeyLSUAUQPOZMYMPC-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.96
Rot. Bonds3

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

4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane (PubChem CID 103983150) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
PubChem CID103983150
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
SMILESCOc1ccccc1N1CCN(C2CCCNCC2)CC1
InChIInChI=1S/C17H27N3O/c1-21-17-7-3-2-6-16(17)20-13-11-19(12-14-20)15-5-4-9-18-10-8-15/h2-3,6-7,15,18H,4-5,8-14H2,1H3
InChIKeyLSUAUQPOZMYMPC-UHFFFAOYSA-N
XLogP1.96
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
CID 28786689
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one
CID 112723099
1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 7441356
1-[1-(2-methoxyethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 91811532
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
2-(2-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930320
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane (CID 103983150) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane is COc1ccccc1N1CCN(C2CCCNCC2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane?
The InChIKey is LSUAUQPOZMYMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-21-17-7-3-2-6-16(17)20-13-11-19(12-14-20)15-5-4-9-18-10-8-15/h2-3,6-7,15,18H,4-5,8-14H2,1H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane?
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane has a molecular weight of 289.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane is sourced from PubChem (CID 103983150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).