2-tert-butyl-4-cyanopiperidine-1-carboxylic acid

C11H18N2O2 — CID 66791155

IUPAC2-tert-butyl-4-cyanopiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(C#N)CCN1C(=O)O
InChIInChI=1S/C11H18N2O2/c1-11(2,3)9-6-8(7-12)4-5-13(9)10(14)15/h8-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyWGKQWCLHKBVSFV-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.31
Rot. Bonds

About 2-tert-butyl-4-cyanopiperidine-1-carboxylic acid

2-tert-butyl-4-cyanopiperidine-1-carboxylic acid (PubChem CID 66791155) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-tert-butyl-4-cyanopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-cyanopiperidine-1-carboxylic acid
PubChem CID66791155
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-tert-butyl-4-cyanopiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(C#N)CCN1C(=O)O
InChIInChI=1S/C11H18N2O2/c1-11(2,3)9-6-8(7-12)4-5-13(9)10(14)15/h8-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyWGKQWCLHKBVSFV-UHFFFAOYSA-N
XLogP2.31
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 2-tert-butyl-4-cyanopiperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-cyanopiperidine-1-carboxylic acid (CID 66791155) is 2-tert-butyl-4-cyanopiperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-cyanopiperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-cyanopiperidine-1-carboxylic acid is CC(C)(C)C1CC(C#N)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-cyanopiperidine-1-carboxylic acid?
The InChIKey is WGKQWCLHKBVSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)9-6-8(7-12)4-5-13(9)10(14)15/h8-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-tert-butyl-4-cyanopiperidine-1-carboxylic acid?
2-tert-butyl-4-cyanopiperidine-1-carboxylic acid has a molecular weight of 210.28 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-cyanopiperidine-1-carboxylic acid is sourced from PubChem (CID 66791155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).