2-[(E)-but-1-enyl]-6-methylpiperidine

C10H19N — CID 22620199

IUPAC2-[(E)-but-1-enyl]-6-methylpiperidine
SMILESCC/C=C/C1CCCC(C)N1
InChIInChI=1S/C10H19N/c1-3-4-7-10-8-5-6-9(2)11-10/h4,7,9-11H,3,5-6,8H2,1-2H3/b7-4+
InChIKeyGXCAETIGNPGRHK-QPJJXVBHSA-N
MW153.27 g/mol
LogP2.48
Rot. Bonds2

About 2-[(E)-but-1-enyl]-6-methylpiperidine

2-[(E)-but-1-enyl]-6-methylpiperidine (PubChem CID 22620199) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-6-methylpiperidine
PubChem CID22620199
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-[(E)-but-1-enyl]-6-methylpiperidine
SMILESCC/C=C/C1CCCC(C)N1
InChIInChI=1S/C10H19N/c1-3-4-7-10-8-5-6-9(2)11-10/h4,7,9-11H,3,5-6,8H2,1-2H3/b7-4+
InChIKeyGXCAETIGNPGRHK-QPJJXVBHSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-[(E)-but-1-enyl]-6-methylpiperidine?
The IUPAC name of 2-[(E)-but-1-enyl]-6-methylpiperidine (CID 22620199) is 2-[(E)-but-1-enyl]-6-methylpiperidine.
What is the SMILES notation for 2-[(E)-but-1-enyl]-6-methylpiperidine?
The canonical SMILES for 2-[(E)-but-1-enyl]-6-methylpiperidine is CC/C=C/C1CCCC(C)N1.
What is the InChIKey of 2-[(E)-but-1-enyl]-6-methylpiperidine?
The InChIKey is GXCAETIGNPGRHK-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H19N/c1-3-4-7-10-8-5-6-9(2)11-10/h4,7,9-11H,3,5-6,8H2,1-2H3/b7-4+.
What are the key properties of 2-[(E)-but-1-enyl]-6-methylpiperidine?
2-[(E)-but-1-enyl]-6-methylpiperidine has a molecular weight of 153.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-6-methylpiperidine is sourced from PubChem (CID 22620199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).