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

C18H23N3O — CID 2427421

IUPAC1-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine
SMILESCOc1ccc(N2CCN(CCc3ccncc3)CC2)cc1
InChIInChI=1S/C18H23N3O/c1-22-18-4-2-17(3-5-18)21-14-12-20(13-15-21)11-8-16-6-9-19-10-7-16/h2-7,9-10H,8,11-15H2,1H3
InChIKeyBEZXRDIQDCEGBB-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.45
Rot. Bonds5

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

1-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine (PubChem CID 2427421) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine
PubChem CID2427421
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine
SMILESCOc1ccc(N2CCN(CCc3ccncc3)CC2)cc1
InChIInChI=1S/C18H23N3O/c1-22-18-4-2-17(3-5-18)21-14-12-20(13-15-21)11-8-16-6-9-19-10-7-16/h2-7,9-10H,8,11-15H2,1H3
InChIKeyBEZXRDIQDCEGBB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine (CID 2427421) is 1-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine is COc1ccc(N2CCN(CCc3ccncc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine?
The InChIKey is BEZXRDIQDCEGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-22-18-4-2-17(3-5-18)21-14-12-20(13-15-21)11-8-16-6-9-19-10-7-16/h2-7,9-10H,8,11-15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine?
1-(4-methoxyphenyl)-4-(2-pyridin-4-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-(4-methoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazine is sourced from PubChem (CID 2427421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).