1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine

C20H27N3O3 — CID 3477056

IUPAC1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(C(c2ncccc2C)N2CCNCC2)cc(OC)c1OC
InChIInChI=1S/C20H27N3O3/c1-14-6-5-7-22-18(14)19(23-10-8-21-9-11-23)15-12-16(24-2)20(26-4)17(13-15)25-3/h5-7,12-13,19,21H,8-11H2,1-4H3
InChIKeyBTOJKSVBIKRBHM-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.41
Rot. Bonds6

About 1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine

1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 3477056) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID3477056
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(C(c2ncccc2C)N2CCNCC2)cc(OC)c1OC
InChIInChI=1S/C20H27N3O3/c1-14-6-5-7-22-18(14)19(23-10-8-21-9-11-23)15-12-16(24-2)20(26-4)17(13-15)25-3/h5-7,12-13,19,21H,8-11H2,1-4H3
InChIKeyBTOJKSVBIKRBHM-UHFFFAOYSA-N
XLogP2.41
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3-methyl-2-pyridinyl)-(3,4,5-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-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 7016984
1-[(3-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3314309
1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5026300
1-[pyridin-4-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3356255
1-[furan-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4594908
1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 4538369
1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3935923
1-[(5-ethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3783871
1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3740741
1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4222145
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 4594062
1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3314443

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 3477056) is 1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(C(c2ncccc2C)N2CCNCC2)cc(OC)c1OC.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is BTOJKSVBIKRBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-6-5-7-22-18(14)19(23-10-8-21-9-11-23)15-12-16(24-2)20(26-4)17(13-15)25-3/h5-7,12-13,19,21H,8-11H2,1-4H3.
What are the key properties of 1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine?
1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 357.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3477056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).