4-(2-cyanoethyl)piperidine-1-carboxylic acid

C9H14N2O2 — CID 18313711

IUPAC4-(2-cyanoethyl)piperidine-1-carboxylic acid
SMILESN#CCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C9H14N2O2/c10-5-1-2-8-3-6-11(7-4-8)9(12)13/h8H,1-4,6-7H2,(H,12,13)
InChIKeyAHXGVVDTYRGPLD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.68
Rot. Bonds2

About 4-(2-cyanoethyl)piperidine-1-carboxylic acid

4-(2-cyanoethyl)piperidine-1-carboxylic acid (PubChem CID 18313711) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(2-cyanoethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyanoethyl)piperidine-1-carboxylic acid
PubChem CID18313711
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(2-cyanoethyl)piperidine-1-carboxylic acid
SMILESN#CCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C9H14N2O2/c10-5-1-2-8-3-6-11(7-4-8)9(12)13/h8H,1-4,6-7H2,(H,12,13)
InChIKeyAHXGVVDTYRGPLD-UHFFFAOYSA-N
XLogP1.68
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-cyanoethyl)piperidine-1-carboxylic acid (CID 18313711) is 4-(2-cyanoethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-cyanoethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-cyanoethyl)piperidine-1-carboxylic acid is N#CCCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-cyanoethyl)piperidine-1-carboxylic acid?
The InChIKey is AHXGVVDTYRGPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-5-1-2-8-3-6-11(7-4-8)9(12)13/h8H,1-4,6-7H2,(H,12,13).
What are the key properties of 4-(2-cyanoethyl)piperidine-1-carboxylic acid?
4-(2-cyanoethyl)piperidine-1-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 18313711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).