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

C18H23N3O — CID 3045000

IUPAC1-(2-methoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine
SMILESCOC(CN1CCN(c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C18H23N3O/c1-22-18(16-6-5-9-19-14-16)15-20-10-12-21(13-11-20)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3
InChIKeyARJNYHVVVSTBEA-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.59
Rot. Bonds5

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

1-(2-methoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine (PubChem CID 3045000) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-methoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2-methoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine
PubChem CID3045000
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(2-methoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine
SMILESCOC(CN1CCN(c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C18H23N3O/c1-22-18(16-6-5-9-19-14-16)15-20-10-12-21(13-11-20)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3
InChIKeyARJNYHVVVSTBEA-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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-phenylpiperazine?
The IUPAC name of 1-(2-methoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine (CID 3045000) is 1-(2-methoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(2-methoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine?
The canonical SMILES for 1-(2-methoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine is COC(CN1CCN(c2ccccc2)CC1)c1cccnc1.
What is the InChIKey of 1-(2-methoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine?
The InChIKey is ARJNYHVVVSTBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-22-18(16-6-5-9-19-14-16)15-20-10-12-21(13-11-20)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3.
What are the key properties of 1-(2-methoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine?
1-(2-methoxy-2-pyridin-3-ylethyl)-4-phenylpiperazine has a molecular weight of 297.40 g/mol, XLogP of 2.59, 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-phenylpiperazine is sourced from PubChem (CID 3045000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).