4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine

C19H25N3O2 — CID 131944864

IUPAC4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine
SMILESCOc1ccc(N2CCN(Cc3cccnc3OC)C(C)C2)cc1
InChIInChI=1S/C19H25N3O2/c1-15-13-22(17-6-8-18(23-2)9-7-17)12-11-21(15)14-16-5-4-10-20-19(16)24-3/h4-10,15H,11-14H2,1-3H3
InChIKeyCEYFFVHBQKITBT-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.81
Rot. Bonds5

About 4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine

4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine (PubChem CID 131944864) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine
PubChem CID131944864
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine
SMILESCOc1ccc(N2CCN(Cc3cccnc3OC)C(C)C2)cc1
InChIInChI=1S/C19H25N3O2/c1-15-13-22(17-6-8-18(23-2)9-7-17)12-11-21(15)14-16-5-4-10-20-19(16)24-3/h4-10,15H,11-14H2,1-3H3
InChIKeyCEYFFVHBQKITBT-UHFFFAOYSA-N
XLogP2.81
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine?
The IUPAC name of 4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine (CID 131944864) is 4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine is COc1ccc(N2CCN(Cc3cccnc3OC)C(C)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine?
The InChIKey is CEYFFVHBQKITBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-13-22(17-6-8-18(23-2)9-7-17)12-11-21(15)14-16-5-4-10-20-19(16)24-3/h4-10,15H,11-14H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine?
4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine has a molecular weight of 327.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 131944864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).