2-(4-methoxypiperidin-1-yl)propanenitrile

C9H16N2O — CID 60704176

IUPAC2-(4-methoxypiperidin-1-yl)propanenitrile
SMILESCOC1CCN(C(C)C#N)CC1
InChIInChI=1S/C9H16N2O/c1-8(7-10)11-5-3-9(12-2)4-6-11/h8-9H,3-6H2,1-2H3
InChIKeyJHPCMCHUHHWBKR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.01
Rot. Bonds2

About 2-(4-methoxypiperidin-1-yl)propanenitrile

2-(4-methoxypiperidin-1-yl)propanenitrile (PubChem CID 60704176) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)propanenitrile
PubChem CID60704176
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(4-methoxypiperidin-1-yl)propanenitrile
SMILESCOC1CCN(C(C)C#N)CC1
InChIInChI=1S/C9H16N2O/c1-8(7-10)11-5-3-9(12-2)4-6-11/h8-9H,3-6H2,1-2H3
InChIKeyJHPCMCHUHHWBKR-UHFFFAOYSA-N
XLogP1.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)propanenitrile?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)propanenitrile (CID 60704176) is 2-(4-methoxypiperidin-1-yl)propanenitrile.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)propanenitrile?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)propanenitrile is COC1CCN(C(C)C#N)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)propanenitrile?
The InChIKey is JHPCMCHUHHWBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(7-10)11-5-3-9(12-2)4-6-11/h8-9H,3-6H2,1-2H3.
What are the key properties of 2-(4-methoxypiperidin-1-yl)propanenitrile?
2-(4-methoxypiperidin-1-yl)propanenitrile has a molecular weight of 168.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)propanenitrile is sourced from PubChem (CID 60704176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).