4-(4-cyanobutyl)piperidine-1-carboxylic acid

C11H18N2O2 — CID 67156047

IUPAC4-(4-cyanobutyl)piperidine-1-carboxylic acid
SMILESN#CCCCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H18N2O2/c12-7-3-1-2-4-10-5-8-13(9-6-10)11(14)15/h10H,1-6,8-9H2,(H,14,15)
InChIKeyXKCJIKMGFJBCOU-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.46
Rot. Bonds4

About 4-(4-cyanobutyl)piperidine-1-carboxylic acid

4-(4-cyanobutyl)piperidine-1-carboxylic acid (PubChem CID 67156047) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(4-cyanobutyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyanobutyl)piperidine-1-carboxylic acid
PubChem CID67156047
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(4-cyanobutyl)piperidine-1-carboxylic acid
SMILESN#CCCCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H18N2O2/c12-7-3-1-2-4-10-5-8-13(9-6-10)11(14)15/h10H,1-6,8-9H2,(H,14,15)
InChIKeyXKCJIKMGFJBCOU-UHFFFAOYSA-N
XLogP2.46
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanobutyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-cyanobutyl)piperidine-1-carboxylic acid (CID 67156047) is 4-(4-cyanobutyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-cyanobutyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-cyanobutyl)piperidine-1-carboxylic acid is N#CCCCCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(4-cyanobutyl)piperidine-1-carboxylic acid?
The InChIKey is XKCJIKMGFJBCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-7-3-1-2-4-10-5-8-13(9-6-10)11(14)15/h10H,1-6,8-9H2,(H,14,15).
What are the key properties of 4-(4-cyanobutyl)piperidine-1-carboxylic acid?
4-(4-cyanobutyl)piperidine-1-carboxylic acid has a molecular weight of 210.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanobutyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67156047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).