prop-2-enyl 4-butylpiperidine-1-carboxylate

C13H23NO2 — CID 22970139

IUPACprop-2-enyl 4-butylpiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(CCCC)CC1
InChIInChI=1S/C13H23NO2/c1-3-5-6-12-7-9-14(10-8-12)13(15)16-11-4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyJGIYZRBDBRYOFW-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.21
Rot. Bonds5

About prop-2-enyl 4-butylpiperidine-1-carboxylate

prop-2-enyl 4-butylpiperidine-1-carboxylate (PubChem CID 22970139) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is prop-2-enyl 4-butylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-butylpiperidine-1-carboxylate
PubChem CID22970139
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameprop-2-enyl 4-butylpiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(CCCC)CC1
InChIInChI=1S/C13H23NO2/c1-3-5-6-12-7-9-14(10-8-12)13(15)16-11-4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyJGIYZRBDBRYOFW-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
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 prop-2-enyl 4-butylpiperidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-butylpiperidine-1-carboxylate (CID 22970139) is prop-2-enyl 4-butylpiperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-butylpiperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-butylpiperidine-1-carboxylate is C=CCOC(=O)N1CCC(CCCC)CC1.
What is the InChIKey of prop-2-enyl 4-butylpiperidine-1-carboxylate?
The InChIKey is JGIYZRBDBRYOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-5-6-12-7-9-14(10-8-12)13(15)16-11-4-2/h4,12H,2-3,5-11H2,1H3.
What are the key properties of prop-2-enyl 4-butylpiperidine-1-carboxylate?
prop-2-enyl 4-butylpiperidine-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-butylpiperidine-1-carboxylate is sourced from PubChem (CID 22970139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).