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

C19H25N3O2 — CID 21120027

IUPAC1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccc(CCN2CCN(c3ccccn3)CC2)c(OC)c1
InChIInChI=1S/C19H25N3O2/c1-23-17-7-6-16(18(15-17)24-2)8-10-21-11-13-22(14-12-21)19-5-3-4-9-20-19/h3-7,9,15H,8,10-14H2,1-2H3
InChIKeySYZKVTTUNVORJU-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.46
Rot. Bonds6

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

1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine (PubChem CID 21120027) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
PubChem CID21120027
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccc(CCN2CCN(c3ccccn3)CC2)c(OC)c1
InChIInChI=1S/C19H25N3O2/c1-23-17-7-6-16(18(15-17)24-2)8-10-21-11-13-22(14-12-21)19-5-3-4-9-20-19/h3-7,9,15H,8,10-14H2,1-2H3
InChIKeySYZKVTTUNVORJU-UHFFFAOYSA-N
XLogP2.46
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960863
5-(2,4-dimethoxyphenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione
CID 9243459
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219736
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258
1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine
CID 136529893
5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine
CID 70004622
4-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143999
1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine
CID 122158640
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
2-(2,5-dimethoxyphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 78876192
2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767938

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine (CID 21120027) is 1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine is COc1ccc(CCN2CCN(c3ccccn3)CC2)c(OC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is SYZKVTTUNVORJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-23-17-7-6-16(18(15-17)24-2)8-10-21-11-13-22(14-12-21)19-5-3-4-9-20-19/h3-7,9,15H,8,10-14H2,1-2H3.
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine?
1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 327.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 21120027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).