1-[(E)-but-2-enyl]piperidine-4-carboxylic acid

C10H17NO2 — CID 43441623

IUPAC1-[(E)-but-2-enyl]piperidine-4-carboxylic acid
SMILESC/C=C/CN1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO2/c1-2-3-6-11-7-4-9(5-8-11)10(12)13/h2-3,9H,4-8H2,1H3,(H,12,13)/b3-2+
InChIKeyCWWLKSFVOBXNKT-NSCUHMNNSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds3

About 1-[(E)-but-2-enyl]piperidine-4-carboxylic acid

1-[(E)-but-2-enyl]piperidine-4-carboxylic acid (PubChem CID 43441623) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]piperidine-4-carboxylic acid
PubChem CID43441623
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[(E)-but-2-enyl]piperidine-4-carboxylic acid
SMILESC/C=C/CN1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO2/c1-2-3-6-11-7-4-9(5-8-11)10(12)13/h2-3,9H,4-8H2,1H3,(H,12,13)/b3-2+
InChIKeyCWWLKSFVOBXNKT-NSCUHMNNSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-but-2-enyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(E)-but-2-enyl]piperidine-4-carboxylic acid (CID 43441623) is 1-[(E)-but-2-enyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(E)-but-2-enyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(E)-but-2-enyl]piperidine-4-carboxylic acid is C/C=C/CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]piperidine-4-carboxylic acid?
The InChIKey is CWWLKSFVOBXNKT-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-6-11-7-4-9(5-8-11)10(12)13/h2-3,9H,4-8H2,1H3,(H,12,13)/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]piperidine-4-carboxylic acid?
1-[(E)-but-2-enyl]piperidine-4-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43441623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).