4-benzyl-1-(3,4-dimethoxyphenyl)piperidine

C20H25NO2 — CID 110452584

IUPAC4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
SMILESCOc1ccc(N2CCC(Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C20H25NO2/c1-22-19-9-8-18(15-20(19)23-2)21-12-10-17(11-13-21)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3
InChIKeyCPXOGNAEARQUNA-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.16
Rot. Bonds5

About 4-benzyl-1-(3,4-dimethoxyphenyl)piperidine

4-benzyl-1-(3,4-dimethoxyphenyl)piperidine (PubChem CID 110452584) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-benzyl-1-(3,4-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
PubChem CID110452584
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
SMILESCOc1ccc(N2CCC(Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C20H25NO2/c1-22-19-9-8-18(15-20(19)23-2)21-12-10-17(11-13-21)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3
InChIKeyCPXOGNAEARQUNA-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
2-benzyl-1-(3,4-dimethoxyphenyl)piperidin-3-ol
CID 70094262
3-(4-benzylpiperidin-1-yl)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione
CID 110564136
4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine
CID 130451089
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
CID 107079799
2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 45259798
3-[1-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981210
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734
4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 53333721
[3-(4-benzylpiperidine-1-carbonyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-(4-benzylpiperidin-1-yl)methanone
CID 10190515

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3,4-dimethoxyphenyl)piperidine?
The IUPAC name of 4-benzyl-1-(3,4-dimethoxyphenyl)piperidine (CID 110452584) is 4-benzyl-1-(3,4-dimethoxyphenyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(3,4-dimethoxyphenyl)piperidine?
The canonical SMILES for 4-benzyl-1-(3,4-dimethoxyphenyl)piperidine is COc1ccc(N2CCC(Cc3ccccc3)CC2)cc1OC.
What is the InChIKey of 4-benzyl-1-(3,4-dimethoxyphenyl)piperidine?
The InChIKey is CPXOGNAEARQUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-22-19-9-8-18(15-20(19)23-2)21-12-10-17(11-13-21)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3.
What are the key properties of 4-benzyl-1-(3,4-dimethoxyphenyl)piperidine?
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine has a molecular weight of 311.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3,4-dimethoxyphenyl)piperidine is sourced from PubChem (CID 110452584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).