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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine
CID 56914012
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
(3aS,6aR)-2-[(2-methoxy-3-pyridinyl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457922
(2R,3aR,7aS)-5-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 124831403
(4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155909707
2-[(3aS,6aS)-4-[(2-methoxy-3-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-N,N-dimethylethanamine
CID 97458886
[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 95872818
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline
CID 95719113
(3aS,6aR)-4-[(2-methoxy-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124789644
3-[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 172901321
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016

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).