2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile

C15H20N2O2 — CID 3000083

IUPAC2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile
SMILESCOc1ccc(C(C#N)N2CCCCC2)cc1OC
InChIInChI=1S/C15H20N2O2/c1-18-14-7-6-12(10-15(14)19-2)13(11-16)17-8-4-3-5-9-17/h6-7,10,13H,3-5,8-9H2,1-2H3
InChIKeyFQELSXKYURXBIN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.75
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile

2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile (PubChem CID 3000083) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile
PubChem CID3000083
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile
SMILESCOc1ccc(C(C#N)N2CCCCC2)cc1OC
InChIInChI=1S/C15H20N2O2/c1-18-14-7-6-12(10-15(14)19-2)13(11-16)17-8-4-3-5-9-17/h6-7,10,13H,3-5,8-9H2,1-2H3
InChIKeyFQELSXKYURXBIN-UHFFFAOYSA-N
XLogP2.75
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile (CID 3000083) is 2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile is COc1ccc(C(C#N)N2CCCCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile?
The InChIKey is FQELSXKYURXBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-14-7-6-12(10-15(14)19-2)13(11-16)17-8-4-3-5-9-17/h6-7,10,13H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile?
2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylacetonitrile is sourced from PubChem (CID 3000083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).