butyl 4-prop-2-enoxypiperidine-1-carboxylate

C13H23NO3 — CID 90978446

IUPACbutyl 4-prop-2-enoxypiperidine-1-carboxylate
SMILESC=CCOC1CCN(C(=O)OCCCC)CC1
InChIInChI=1S/C13H23NO3/c1-3-5-11-17-13(15)14-8-6-12(7-9-14)16-10-4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyPWYZLWPOCZBCJZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.59
Rot. Bonds6

About butyl 4-prop-2-enoxypiperidine-1-carboxylate

butyl 4-prop-2-enoxypiperidine-1-carboxylate (PubChem CID 90978446) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is butyl 4-prop-2-enoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-prop-2-enoxypiperidine-1-carboxylate
PubChem CID90978446
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namebutyl 4-prop-2-enoxypiperidine-1-carboxylate
SMILESC=CCOC1CCN(C(=O)OCCCC)CC1
InChIInChI=1S/C13H23NO3/c1-3-5-11-17-13(15)14-8-6-12(7-9-14)16-10-4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyPWYZLWPOCZBCJZ-UHFFFAOYSA-N
XLogP2.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 4-prop-2-enoxypiperidine-1-carboxylate?
The IUPAC name of butyl 4-prop-2-enoxypiperidine-1-carboxylate (CID 90978446) is butyl 4-prop-2-enoxypiperidine-1-carboxylate.
What is the SMILES notation for butyl 4-prop-2-enoxypiperidine-1-carboxylate?
The canonical SMILES for butyl 4-prop-2-enoxypiperidine-1-carboxylate is C=CCOC1CCN(C(=O)OCCCC)CC1.
What is the InChIKey of butyl 4-prop-2-enoxypiperidine-1-carboxylate?
The InChIKey is PWYZLWPOCZBCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-5-11-17-13(15)14-8-6-12(7-9-14)16-10-4-2/h4,12H,2-3,5-11H2,1H3.
What are the key properties of butyl 4-prop-2-enoxypiperidine-1-carboxylate?
butyl 4-prop-2-enoxypiperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-prop-2-enoxypiperidine-1-carboxylate is sourced from PubChem (CID 90978446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).