1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine

C18H23N3O2 — CID 791288

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccc(CN2CCN(c3ccccn3)CC2)c(OC)c1
InChIInChI=1S/C18H23N3O2/c1-22-16-7-6-15(17(13-16)23-2)14-20-9-11-21(12-10-20)18-5-3-4-8-19-18/h3-8,13H,9-12,14H2,1-2H3
InChIKeyQQGNDQVWIIZEIC-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.42
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine

1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 791288) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID791288
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccc(CN2CCN(c3ccccn3)CC2)c(OC)c1
InChIInChI=1S/C18H23N3O2/c1-22-16-7-6-15(17(13-16)23-2)14-20-9-11-21(12-10-20)18-5-3-4-8-19-18/h3-8,13H,9-12,14H2,1-2H3
InChIKeyQQGNDQVWIIZEIC-UHFFFAOYSA-N
XLogP2.42
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine (CID 791288) is 1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine is COc1ccc(CN2CCN(c3ccccn3)CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is QQGNDQVWIIZEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-22-16-7-6-15(17(13-16)23-2)14-20-9-11-21(12-10-20)18-5-3-4-8-19-18/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 313.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 791288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).