1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine

C17H26N2O2 — CID 62273875

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESCOc1ccc(CN2CCCC2C2CCCN2)cc1OC
InChIInChI=1S/C17H26N2O2/c1-20-16-8-7-13(11-17(16)21-2)12-19-10-4-6-15(19)14-5-3-9-18-14/h7-8,11,14-15,18H,3-6,9-10,12H2,1-2H3
InChIKeyDVLCWVHBPOAYIR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds5

About 1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine

1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 62273875) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
PubChem CID62273875
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESCOc1ccc(CN2CCCC2C2CCCN2)cc1OC
InChIInChI=1S/C17H26N2O2/c1-20-16-8-7-13(11-17(16)21-2)12-19-10-4-6-15(19)14-5-3-9-18-14/h7-8,11,14-15,18H,3-6,9-10,12H2,1-2H3
InChIKeyDVLCWVHBPOAYIR-UHFFFAOYSA-N
XLogP2.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62274395
methyl 4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzoate
CID 62274393
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 65477853
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,4-diazepane
CID 82303795
1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256920
2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine
CID 104869393
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 79972574
1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 124614821
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
1-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62275065

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine (CID 62273875) is 1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine is COc1ccc(CN2CCCC2C2CCCN2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is DVLCWVHBPOAYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-16-8-7-13(11-17(16)21-2)12-19-10-4-6-15(19)14-5-3-9-18-14/h7-8,11,14-15,18H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 290.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 62273875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).