1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine

C19H25N3O — CID 3045001

IUPAC1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine
SMILESCCOC(CN1CCN(c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C19H25N3O/c1-2-23-19(17-7-6-10-20-15-17)16-21-11-13-22(14-12-21)18-8-4-3-5-9-18/h3-10,15,19H,2,11-14,16H2,1H3
InChIKeyAHEPDULQXFTSOW-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.98
Rot. Bonds6

About 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine

1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine (PubChem CID 3045001) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine
PubChem CID3045001
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine
SMILESCCOC(CN1CCN(c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C19H25N3O/c1-2-23-19(17-7-6-10-20-15-17)16-21-11-13-22(14-12-21)18-8-4-3-5-9-18/h3-10,15,19H,2,11-14,16H2,1H3
InChIKeyAHEPDULQXFTSOW-UHFFFAOYSA-N
XLogP2.98
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.98
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-phenylpiperazine?
The IUPAC name of 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine (CID 3045001) is 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine?
The canonical SMILES for 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine is CCOC(CN1CCN(c2ccccc2)CC1)c1cccnc1.
What is the InChIKey of 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine?
The InChIKey is AHEPDULQXFTSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-23-19(17-7-6-10-20-15-17)16-21-11-13-22(14-12-21)18-8-4-3-5-9-18/h3-10,15,19H,2,11-14,16H2,1H3.
What are the key properties of 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine?
1-(2-ethoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine has a molecular weight of 311.43 g/mol, XLogP of 2.98, 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-phenylpiperazine is sourced from PubChem (CID 3045001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).