prop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate

C11H20N2O2 — CID 123703763

IUPACprop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCC(C)C1CN
InChIInChI=1S/C11H20N2O2/c1-3-7-15-11(14)13-6-4-5-9(2)10(13)8-12/h3,9-10H,1,4-8,12H2,2H3
InChIKeyQWEGBQDTSBPQLY-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.37
Rot. Bonds3

About prop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate

prop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate (PubChem CID 123703763) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is prop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate
PubChem CID123703763
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameprop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCC(C)C1CN
InChIInChI=1S/C11H20N2O2/c1-3-7-15-11(14)13-6-4-5-9(2)10(13)8-12/h3,9-10H,1,4-8,12H2,2H3
InChIKeyQWEGBQDTSBPQLY-UHFFFAOYSA-N
XLogP1.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(aminomethyl)-3-methylpiperidine-1-carboxylate?
The IUPAC name of prop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate (CID 123703763) is prop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate is C=CCOC(=O)N1CCCC(C)C1CN.
What is the InChIKey of prop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate?
The InChIKey is QWEGBQDTSBPQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-7-15-11(14)13-6-4-5-9(2)10(13)8-12/h3,9-10H,1,4-8,12H2,2H3.
What are the key properties of prop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate?
prop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(aminomethyl)-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 123703763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).