1-benzyl-2-(2,5-dimethoxyphenyl)piperidine

C20H25NO2 — CID 102544473

IUPAC1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
SMILESCOc1ccc(OC)c(C2CCCCN2Cc2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-22-17-11-12-20(23-2)18(14-17)19-10-6-7-13-21(19)15-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,19H,6-7,10,13,15H2,1-2H3
InChIKeyYSFKJVLQBPSICK-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.43
Rot. Bonds5

About 1-benzyl-2-(2,5-dimethoxyphenyl)piperidine

1-benzyl-2-(2,5-dimethoxyphenyl)piperidine (PubChem CID 102544473) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-benzyl-2-(2,5-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
PubChem CID102544473
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
SMILESCOc1ccc(OC)c(C2CCCCN2Cc2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-22-17-11-12-20(23-2)18(14-17)19-10-6-7-13-21(19)15-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,19H,6-7,10,13,15H2,1-2H3
InChIKeyYSFKJVLQBPSICK-UHFFFAOYSA-N
XLogP4.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 40795104
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole
CID 47084712
(2S)-1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 26522180
(2R)-1-benzylsulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 40820260
N-(benzylcarbamoyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26648081
(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
CID 124500714
2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
2-chloro-3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-7-methoxyquinoline
CID 26201479
(2S)-N-benzyl-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbothioamide
CID 9283370
1-benzyl-2-[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]piperidine
CID 22403097
(5S)-5-benzyl-3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 26008911

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2,5-dimethoxyphenyl)piperidine?
The IUPAC name of 1-benzyl-2-(2,5-dimethoxyphenyl)piperidine (CID 102544473) is 1-benzyl-2-(2,5-dimethoxyphenyl)piperidine.
What is the SMILES notation for 1-benzyl-2-(2,5-dimethoxyphenyl)piperidine?
The canonical SMILES for 1-benzyl-2-(2,5-dimethoxyphenyl)piperidine is COc1ccc(OC)c(C2CCCCN2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-2-(2,5-dimethoxyphenyl)piperidine?
The InChIKey is YSFKJVLQBPSICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-22-17-11-12-20(23-2)18(14-17)19-10-6-7-13-21(19)15-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,19H,6-7,10,13,15H2,1-2H3.
What are the key properties of 1-benzyl-2-(2,5-dimethoxyphenyl)piperidine?
1-benzyl-2-(2,5-dimethoxyphenyl)piperidine has a molecular weight of 311.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2,5-dimethoxyphenyl)piperidine is sourced from PubChem (CID 102544473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).