1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine

C13H21NO — CID 11171791

IUPAC1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine
SMILESCC(C)=COCC#CCN1CCCCC1
InChIInChI=1S/C13H21NO/c1-13(2)12-15-11-7-6-10-14-8-4-3-5-9-14/h12H,3-5,8-11H2,1-2H3
InChIKeyRGUJNAUPZWEZIG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.42
Rot. Bonds3

About 1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine

1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine (PubChem CID 11171791) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine.

Molecular Properties

Compound Name1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine
PubChem CID11171791
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine
SMILESCC(C)=COCC#CCN1CCCCC1
InChIInChI=1S/C13H21NO/c1-13(2)12-15-11-7-6-10-14-8-4-3-5-9-14/h12H,3-5,8-11H2,1-2H3
InChIKeyRGUJNAUPZWEZIG-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine?
The IUPAC name of 1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine (CID 11171791) is 1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine.
What is the SMILES notation for 1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine?
The canonical SMILES for 1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine is CC(C)=COCC#CCN1CCCCC1.
What is the InChIKey of 1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine?
The InChIKey is RGUJNAUPZWEZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2)12-15-11-7-6-10-14-8-4-3-5-9-14/h12H,3-5,8-11H2,1-2H3.
What are the key properties of 1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine?
1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylprop-1-enoxy)but-2-ynyl]piperidine is sourced from PubChem (CID 11171791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).