(2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine

C20H27N3O2 — CID 129361888

IUPAC(2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine
SMILESCOc1ccc(CCN2CCN(c3ccccn3)C[C@H]2C)cc1OC
InChIInChI=1S/C20H27N3O2/c1-16-15-23(20-6-4-5-10-21-20)13-12-22(16)11-9-17-7-8-18(24-2)19(14-17)25-3/h4-8,10,14,16H,9,11-13,15H2,1-3H3/t16-/m1/s1
InChIKeyBPVUINXOLAJZES-MRXNPFEDSA-N
MW341.46 g/mol
LogP2.85
Rot. Bonds6

About (2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine

(2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine (PubChem CID 129361888) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine
PubChem CID129361888
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine
SMILESCOc1ccc(CCN2CCN(c3ccccn3)C[C@H]2C)cc1OC
InChIInChI=1S/C20H27N3O2/c1-16-15-23(20-6-4-5-10-21-20)13-12-22(16)11-9-17-7-8-18(24-2)19(14-17)25-3/h4-8,10,14,16H,9,11-13,15H2,1-3H3/t16-/m1/s1
InChIKeyBPVUINXOLAJZES-MRXNPFEDSA-N
XLogP2.85
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine 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

2-[(3R,5S)-4-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrimidine
CID 13449318
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 10131909
N-[(3,4-dimethoxyphenyl)methyl]-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108949886
5,6-dimethoxy-2-methyl-3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 12746846
[1-[2-(3,4-dimethoxyphenyl)ethyl]aziridin-2-yl]methanamine
CID 117010060
1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
CID 21120027
1-[(3-bromo-4-methoxyphenyl)methyl]-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 154829950
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]isoindole-1,3-dione
CID 15045352
N'-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220041
(4S,4aS,8aS)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
CID 11898939
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide
CID 54603548
2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde
CID 87189624

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine?
The IUPAC name of (2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine (CID 129361888) is (2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for (2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for (2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine is COc1ccc(CCN2CCN(c3ccccn3)C[C@H]2C)cc1OC.
What is the InChIKey of (2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine?
The InChIKey is BPVUINXOLAJZES-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16-15-23(20-6-4-5-10-21-20)13-12-22(16)11-9-17-7-8-18(24-2)19(14-17)25-3/h4-8,10,14,16H,9,11-13,15H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine?
(2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine has a molecular weight of 341.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 129361888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).