2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile

C11H20N2O2 — CID 177272454

IUPAC2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile
SMILESCCOC1(OCC)CCN[C@H](CC#N)C1
InChIInChI=1S/C11H20N2O2/c1-3-14-11(15-4-2)6-8-13-10(9-11)5-7-12/h10,13H,3-6,8-9H2,1-2H3/t10-/m1/s1
InChIKeyGBPZHYNFGSUEQZ-SNVBAGLBSA-N
MW212.29 g/mol
LogP1.42
Rot. Bonds5

About 2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile

2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile (PubChem CID 177272454) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile
PubChem CID177272454
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile
SMILESCCOC1(OCC)CCN[C@H](CC#N)C1
InChIInChI=1S/C11H20N2O2/c1-3-14-11(15-4-2)6-8-13-10(9-11)5-7-12/h10,13H,3-6,8-9H2,1-2H3/t10-/m1/s1
InChIKeyGBPZHYNFGSUEQZ-SNVBAGLBSA-N
XLogP1.42
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile?
The IUPAC name of 2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile (CID 177272454) is 2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile?
The canonical SMILES for 2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile is CCOC1(OCC)CCN[C@H](CC#N)C1.
What is the InChIKey of 2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile?
The InChIKey is GBPZHYNFGSUEQZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-14-11(15-4-2)6-8-13-10(9-11)5-7-12/h10,13H,3-6,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile?
2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile has a molecular weight of 212.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4,4-diethoxypiperidin-2-yl]acetonitrile is sourced from PubChem (CID 177272454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).