prop-1-en-2-yl piperidine-1-carboxylate

C9H15NO2 — CID 141284488

IUPACprop-1-en-2-yl piperidine-1-carboxylate
SMILESC=C(C)OC(=O)N1CCCCC1
InChIInChI=1S/C9H15NO2/c1-8(2)12-9(11)10-6-4-3-5-7-10/h1,3-7H2,2H3
InChIKeyFNLULIPBJPUTPV-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.14
Rot. Bonds1

About prop-1-en-2-yl piperidine-1-carboxylate

prop-1-en-2-yl piperidine-1-carboxylate (PubChem CID 141284488) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is prop-1-en-2-yl piperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-1-en-2-yl piperidine-1-carboxylate
PubChem CID141284488
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameprop-1-en-2-yl piperidine-1-carboxylate
SMILESC=C(C)OC(=O)N1CCCCC1
InChIInChI=1S/C9H15NO2/c1-8(2)12-9(11)10-6-4-3-5-7-10/h1,3-7H2,2H3
InChIKeyFNLULIPBJPUTPV-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 prop-1-en-2-yl piperidine-1-carboxylate?
The IUPAC name of prop-1-en-2-yl piperidine-1-carboxylate (CID 141284488) is prop-1-en-2-yl piperidine-1-carboxylate.
What is the SMILES notation for prop-1-en-2-yl piperidine-1-carboxylate?
The canonical SMILES for prop-1-en-2-yl piperidine-1-carboxylate is C=C(C)OC(=O)N1CCCCC1.
What is the InChIKey of prop-1-en-2-yl piperidine-1-carboxylate?
The InChIKey is FNLULIPBJPUTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(2)12-9(11)10-6-4-3-5-7-10/h1,3-7H2,2H3.
What are the key properties of prop-1-en-2-yl piperidine-1-carboxylate?
prop-1-en-2-yl piperidine-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl piperidine-1-carboxylate is sourced from PubChem (CID 141284488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).