1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine

C20H26N2O3 — CID 7016984

IUPAC1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc([C@@H](c2ccccc2)N2CCNCC2)cc(OC)c1OC
InChIInChI=1S/C20H26N2O3/c1-23-17-13-16(14-18(24-2)20(17)25-3)19(15-7-5-4-6-8-15)22-11-9-21-10-12-22/h4-8,13-14,19,21H,9-12H2,1-3H3/t19-/m1/s1
InChIKeyAEBSPPODFOQFNP-LJQANCHMSA-N
MW342.44 g/mol
LogP2.71
Rot. Bonds6

About 1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine

1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 7016984) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID7016984
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc([C@@H](c2ccccc2)N2CCNCC2)cc(OC)c1OC
InChIInChI=1S/C20H26N2O3/c1-23-17-13-16(14-18(24-2)20(17)25-3)19(15-7-5-4-6-8-15)22-11-9-21-10-12-22/h4-8,13-14,19,21H,9-12H2,1-3H3/t19-/m1/s1
InChIKeyAEBSPPODFOQFNP-LJQANCHMSA-N
XLogP2.71
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(R)-phenyl-(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-[pyridin-4-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3356255
1-[(3,4-dimethoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3614398
1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3935923
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3477056
1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3314443
1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 4538369
1-[furan-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4594908
1-[phenyl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3762656
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 4594062
1-[phenyl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3715051

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 7016984) is 1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc([C@@H](c2ccccc2)N2CCNCC2)cc(OC)c1OC.
What is the InChIKey of 1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is AEBSPPODFOQFNP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-23-17-13-16(14-18(24-2)20(17)25-3)19(15-7-5-4-6-8-15)22-11-9-21-10-12-22/h4-8,13-14,19,21H,9-12H2,1-3H3/t19-/m1/s1.
What are the key properties of 1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine?
1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 342.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 7016984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).