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

C15H26N2O2 — CID 66734919

IUPAC2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid
SMILESCC(C)CC1(C(C)(C)C)CC(C#N)CCN1C(=O)O
InChIInChI=1S/C15H26N2O2/c1-11(2)8-15(14(3,4)5)9-12(10-16)6-7-17(15)13(18)19/h11-12H,6-9H2,1-5H3,(H,18,19)
InChIKeyJTIDKHOBQUGCBB-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.73
Rot. Bonds2

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

2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid (PubChem CID 66734919) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid
PubChem CID66734919
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid
SMILESCC(C)CC1(C(C)(C)C)CC(C#N)CCN1C(=O)O
InChIInChI=1S/C15H26N2O2/c1-11(2)8-15(14(3,4)5)9-12(10-16)6-7-17(15)13(18)19/h11-12H,6-9H2,1-5H3,(H,18,19)
InChIKeyJTIDKHOBQUGCBB-UHFFFAOYSA-N
XLogP3.73
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.73
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-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid (CID 66734919) is 2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid is CC(C)CC1(C(C)(C)C)CC(C#N)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid?
The InChIKey is JTIDKHOBQUGCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)8-15(14(3,4)5)9-12(10-16)6-7-17(15)13(18)19/h11-12H,6-9H2,1-5H3,(H,18,19).
What are the key properties of 2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid?
2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid has a molecular weight of 266.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 66734919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).