4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid

C11H18N2O2 — CID 68507062

IUPAC4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid
SMILESCC(C)CC1CC(C#N)CCN1C(=O)O
InChIInChI=1S/C11H18N2O2/c1-8(2)5-10-6-9(7-12)3-4-13(10)11(14)15/h8-10H,3-6H2,1-2H3,(H,14,15)
InChIKeySQMJZFGXLOHXLY-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.31
Rot. Bonds2

About 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid

4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid (PubChem CID 68507062) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid
PubChem CID68507062
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid
SMILESCC(C)CC1CC(C#N)CCN1C(=O)O
InChIInChI=1S/C11H18N2O2/c1-8(2)5-10-6-9(7-12)3-4-13(10)11(14)15/h8-10H,3-6H2,1-2H3,(H,14,15)
InChIKeySQMJZFGXLOHXLY-UHFFFAOYSA-N
XLogP2.31
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid (CID 68507062) is 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid is CC(C)CC1CC(C#N)CCN1C(=O)O.
What is the InChIKey of 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid?
The InChIKey is SQMJZFGXLOHXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)5-10-6-9(7-12)3-4-13(10)11(14)15/h8-10H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid?
4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid has a molecular weight of 210.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68507062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).