1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid

C15H26N2O2 — CID 68811349

IUPAC1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C/C=C/CN2CCCCC2)C1
InChIInChI=1S/C15H26N2O2/c18-15(19)14-7-6-12-17(13-14)11-5-4-10-16-8-2-1-3-9-16/h4-5,14H,1-3,6-13H2,(H,18,19)/b5-4+
InChIKeySPYDGGLDLJLBLV-SNAWJCMRSA-N
MW266.38 g/mol
LogP1.83
Rot. Bonds5

About 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid

1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid (PubChem CID 68811349) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid
PubChem CID68811349
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C/C=C/CN2CCCCC2)C1
InChIInChI=1S/C15H26N2O2/c18-15(19)14-7-6-12-17(13-14)11-5-4-10-16-8-2-1-3-9-16/h4-5,14H,1-3,6-13H2,(H,18,19)/b5-4+
InChIKeySPYDGGLDLJLBLV-SNAWJCMRSA-N
XLogP1.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid (CID 68811349) is 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C/C=C/CN2CCCCC2)C1.
What is the InChIKey of 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid?
The InChIKey is SPYDGGLDLJLBLV-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(19)14-7-6-12-17(13-14)11-5-4-10-16-8-2-1-3-9-16/h4-5,14H,1-3,6-13H2,(H,18,19)/b5-4+.
What are the key properties of 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid?
1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid has a molecular weight of 266.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 68811349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).