1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C19H25N3O3 — CID 791258

IUPAC1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccccn3)CC2)c(OC)c1OC
InChIInChI=1S/C19H25N3O3/c1-23-16-8-7-15(18(24-2)19(16)25-3)14-21-10-12-22(13-11-21)17-6-4-5-9-20-17/h4-9H,10-14H2,1-3H3
InChIKeyATSXNZSSMNRUQP-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.43
Rot. Bonds6

About 1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 791258) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID791258
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccccn3)CC2)c(OC)c1OC
InChIInChI=1S/C19H25N3O3/c1-23-16-8-7-15(18(24-2)19(16)25-3)14-21-10-12-22(13-11-21)17-6-4-5-9-20-17/h4-9H,10-14H2,1-3H3
InChIKeyATSXNZSSMNRUQP-UHFFFAOYSA-N
XLogP2.43
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine 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

1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
CID 21120027
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 10131909
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28078
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
7-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]heptanoic acid
CID 23441412
1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-pyridin-2-ylpiperazine
CID 12828463
1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 2948911
4,7-dimethyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 163352758

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 791258) is 1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(c3ccccn3)CC2)c(OC)c1OC.
What is the InChIKey of 1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is ATSXNZSSMNRUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-23-16-8-7-15(18(24-2)19(16)25-3)14-21-10-12-22(13-11-21)17-6-4-5-9-20-17/h4-9H,10-14H2,1-3H3.
What are the key properties of 1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 343.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 791258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).