ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate

C13H24N2O2 — CID 51081691

IUPACethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(CC=C(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-4-17-13(16)14-12-6-5-8-15(10-12)9-7-11(2)3/h7,12H,4-6,8-10H2,1-3H3,(H,14,16)
InChIKeyRALQPXGDVBLSBW-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.16
Rot. Bonds4

About ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate

ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate (PubChem CID 51081691) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate
PubChem CID51081691
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(CC=C(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-4-17-13(16)14-12-6-5-8-15(10-12)9-7-11(2)3/h7,12H,4-6,8-10H2,1-3H3,(H,14,16)
InChIKeyRALQPXGDVBLSBW-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.16
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 ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate (CID 51081691) is ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(CC=C(C)C)C1.
What is the InChIKey of ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate?
The InChIKey is RALQPXGDVBLSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-17-13(16)14-12-6-5-8-15(10-12)9-7-11(2)3/h7,12H,4-6,8-10H2,1-3H3,(H,14,16).
What are the key properties of ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate?
ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(3-methylbut-2-enyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 51081691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).