ethane;methyl piperidine-1-carboxylate;prop-1-ene

C12H25NO2 — CID 145482087

IUPACethane;methyl piperidine-1-carboxylate;prop-1-ene
SMILESC=CC.CC.COC(=O)N1CCCCC1
InChIInChI=1S/C7H13NO2.C3H6.C2H6/c1-10-7(9)8-5-3-2-4-6-8;1-3-2;1-2/h2-6H2,1H3;3H,1H2,2H3;1-2H3
InChIKeyAHLOUIOXSUSDAQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.46
Rot. Bonds

About ethane;methyl piperidine-1-carboxylate;prop-1-ene

ethane;methyl piperidine-1-carboxylate;prop-1-ene (PubChem CID 145482087) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;methyl piperidine-1-carboxylate;prop-1-ene.

Molecular Properties

Compound Nameethane;methyl piperidine-1-carboxylate;prop-1-ene
PubChem CID145482087
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;methyl piperidine-1-carboxylate;prop-1-ene
SMILESC=CC.CC.COC(=O)N1CCCCC1
InChIInChI=1S/C7H13NO2.C3H6.C2H6/c1-10-7(9)8-5-3-2-4-6-8;1-3-2;1-2/h2-6H2,1H3;3H,1H2,2H3;1-2H3
InChIKeyAHLOUIOXSUSDAQ-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.46
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 ethane;methyl piperidine-1-carboxylate;prop-1-ene?
The IUPAC name of ethane;methyl piperidine-1-carboxylate;prop-1-ene (CID 145482087) is ethane;methyl piperidine-1-carboxylate;prop-1-ene.
What is the SMILES notation for ethane;methyl piperidine-1-carboxylate;prop-1-ene?
The canonical SMILES for ethane;methyl piperidine-1-carboxylate;prop-1-ene is C=CC.CC.COC(=O)N1CCCCC1.
What is the InChIKey of ethane;methyl piperidine-1-carboxylate;prop-1-ene?
The InChIKey is AHLOUIOXSUSDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C3H6.C2H6/c1-10-7(9)8-5-3-2-4-6-8;1-3-2;1-2/h2-6H2,1H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;methyl piperidine-1-carboxylate;prop-1-ene?
ethane;methyl piperidine-1-carboxylate;prop-1-ene has a molecular weight of 215.34 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl piperidine-1-carboxylate;prop-1-ene is sourced from PubChem (CID 145482087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).