(4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate

C12H21NO3 — CID 142321020

IUPAC(4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate
SMILESCOC=CC(C)COC(=O)N1CCCCC1
InChIInChI=1S/C12H21NO3/c1-11(6-9-15-2)10-16-12(14)13-7-4-3-5-8-13/h6,9,11H,3-5,7-8,10H2,1-2H3
InChIKeyRIUSUKNSKMFJFW-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.41
Rot. Bonds4

About (4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate

(4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate (PubChem CID 142321020) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate
PubChem CID142321020
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate
SMILESCOC=CC(C)COC(=O)N1CCCCC1
InChIInChI=1S/C12H21NO3/c1-11(6-9-15-2)10-16-12(14)13-7-4-3-5-8-13/h6,9,11H,3-5,7-8,10H2,1-2H3
InChIKeyRIUSUKNSKMFJFW-UHFFFAOYSA-N
XLogP2.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate?
The IUPAC name of (4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate (CID 142321020) is (4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate.
What is the SMILES notation for (4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate?
The canonical SMILES for (4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate is COC=CC(C)COC(=O)N1CCCCC1.
What is the InChIKey of (4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate?
The InChIKey is RIUSUKNSKMFJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(6-9-15-2)10-16-12(14)13-7-4-3-5-8-13/h6,9,11H,3-5,7-8,10H2,1-2H3.
What are the key properties of (4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate?
(4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylbut-3-enyl) piperidine-1-carboxylate is sourced from PubChem (CID 142321020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).