1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine

C18H23N3O — CID 792584

IUPAC1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H23N3O/c1-2-22-18-8-4-3-7-17(18)21-12-10-20(11-13-21)15-16-6-5-9-19-14-16/h3-9,14H,2,10-13,15H2,1H3
InChIKeyCNFWITKOFBJCHE-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.80
Rot. Bonds5

About 1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine

1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 792584) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine
PubChem CID792584
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H23N3O/c1-2-22-18-8-4-3-7-17(18)21-12-10-20(11-13-21)15-16-6-5-9-19-14-16/h3-9,14H,2,10-13,15H2,1H3
InChIKeyCNFWITKOFBJCHE-UHFFFAOYSA-N
XLogP2.80
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine (CID 792584) is 1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine is CCOc1ccccc1N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is CNFWITKOFBJCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-22-18-8-4-3-7-17(18)21-12-10-20(11-13-21)15-16-6-5-9-19-14-16/h3-9,14H,2,10-13,15H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine?
1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 297.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 792584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).