2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile

C12H20N2O2 — CID 102957679

IUPAC2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C12H20N2O2/c1-4-12(3,8-13)11(16)14-6-5-9(2)10(15)7-14/h9-10,15H,4-7H2,1-3H3
InChIKeyVLMHGWDSRCLHNG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.16
Rot. Bonds2

About 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile

2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile (PubChem CID 102957679) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile
PubChem CID102957679
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C12H20N2O2/c1-4-12(3,8-13)11(16)14-6-5-9(2)10(15)7-14/h9-10,15H,4-7H2,1-3H3
InChIKeyVLMHGWDSRCLHNG-UHFFFAOYSA-N
XLogP1.16
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile?
The IUPAC name of 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile (CID 102957679) is 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile?
The canonical SMILES for 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile is CCC(C)(C#N)C(=O)N1CCC(C)C(O)C1.
What is the InChIKey of 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile?
The InChIKey is VLMHGWDSRCLHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-12(3,8-13)11(16)14-6-5-9(2)10(15)7-14/h9-10,15H,4-7H2,1-3H3.
What are the key properties of 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile?
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile has a molecular weight of 224.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile is sourced from PubChem (CID 102957679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).