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

C20H27N3O — CID 3059792

IUPAC1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine
SMILESCCOC(CN1CCN(c2ccccc2C)CC1)c1cccnc1
InChIInChI=1S/C20H27N3O/c1-3-24-20(18-8-6-10-21-15-18)16-22-11-13-23(14-12-22)19-9-5-4-7-17(19)2/h4-10,15,20H,3,11-14,16H2,1-2H3
InChIKeyGKCKVCHGFKBYLJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.29
Rot. Bonds6

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

1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine (PubChem CID 3059792) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine
PubChem CID3059792
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine
SMILESCCOC(CN1CCN(c2ccccc2C)CC1)c1cccnc1
InChIInChI=1S/C20H27N3O/c1-3-24-20(18-8-6-10-21-15-18)16-22-11-13-23(14-12-22)19-9-5-4-7-17(19)2/h4-10,15,20H,3,11-14,16H2,1-2H3
InChIKeyGKCKVCHGFKBYLJ-UHFFFAOYSA-N
XLogP3.29
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine (CID 3059792) is 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine is CCOC(CN1CCN(c2ccccc2C)CC1)c1cccnc1.
What is the InChIKey of 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine?
The InChIKey is GKCKVCHGFKBYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-24-20(18-8-6-10-21-15-18)16-22-11-13-23(14-12-22)19-9-5-4-7-17(19)2/h4-10,15,20H,3,11-14,16H2,1-2H3.
What are the key properties of 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine?
1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine has a molecular weight of 325.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methylphenyl)piperazine is sourced from PubChem (CID 3059792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).