1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine

C19H25N3O — CID 3059791

IUPAC1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine
SMILESCOC(CN1CCN(c2ccccc2C)CC1)c1cccnc1
InChIInChI=1S/C19H25N3O/c1-16-6-3-4-8-18(16)22-12-10-21(11-13-22)15-19(23-2)17-7-5-9-20-14-17/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyZSUOPPDUPWRULU-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.90
Rot. Bonds5

About 1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine

1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine (PubChem CID 3059791) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine
PubChem CID3059791
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine
SMILESCOC(CN1CCN(c2ccccc2C)CC1)c1cccnc1
InChIInChI=1S/C19H25N3O/c1-16-6-3-4-8-18(16)22-12-10-21(11-13-22)15-19(23-2)17-7-5-9-20-14-17/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyZSUOPPDUPWRULU-UHFFFAOYSA-N
XLogP2.90
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine (CID 3059791) is 1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine is COC(CN1CCN(c2ccccc2C)CC1)c1cccnc1.
What is the InChIKey of 1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine?
The InChIKey is ZSUOPPDUPWRULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-16-6-3-4-8-18(16)22-12-10-21(11-13-22)15-19(23-2)17-7-5-9-20-14-17/h3-9,14,19H,10-13,15H2,1-2H3.
What are the key properties of 1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine?
1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine has a molecular weight of 311.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine is sourced from PubChem (CID 3059791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).