1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine

C18H23N3O — CID 3045007

IUPAC1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine
SMILESCOc1ccccc1N1CCN(CCc2cccnc2)CC1
InChIInChI=1S/C18H23N3O/c1-22-18-7-3-2-6-17(18)21-13-11-20(12-14-21)10-8-16-5-4-9-19-15-16/h2-7,9,15H,8,10-14H2,1H3
InChIKeyHGEVNRLDUFNBSW-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.45
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine

1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine (PubChem CID 3045007) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine
PubChem CID3045007
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine
SMILESCOc1ccccc1N1CCN(CCc2cccnc2)CC1
InChIInChI=1S/C18H23N3O/c1-22-18-7-3-2-6-17(18)21-13-11-20(12-14-21)10-8-16-5-4-9-19-15-16/h2-7,9,15H,8,10-14H2,1H3
InChIKeyHGEVNRLDUFNBSW-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine (CID 3045007) is 1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine is COc1ccccc1N1CCN(CCc2cccnc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine?
The InChIKey is HGEVNRLDUFNBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-22-18-7-3-2-6-17(18)21-13-11-20(12-14-21)10-8-16-5-4-9-19-15-16/h2-7,9,15H,8,10-14H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine?
1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine has a molecular weight of 297.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(2-pyridin-3-ylethyl)piperazine is sourced from PubChem (CID 3045007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).