1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine

C10H17F2NO — CID 145347196

IUPAC1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine
SMILESC/C=C/CN1CCC(OC(F)F)CC1
InChIInChI=1S/C10H17F2NO/c1-2-3-6-13-7-4-9(5-8-13)14-10(11)12/h2-3,9-10H,4-8H2,1H3/b3-2+
InChIKeyWIRYAIMRMUZSFD-NSCUHMNNSA-N
MW205.25 g/mol
LogP2.27
Rot. Bonds4

About 1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine

1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine (PubChem CID 145347196) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine
PubChem CID145347196
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine
SMILESC/C=C/CN1CCC(OC(F)F)CC1
InChIInChI=1S/C10H17F2NO/c1-2-3-6-13-7-4-9(5-8-13)14-10(11)12/h2-3,9-10H,4-8H2,1H3/b3-2+
InChIKeyWIRYAIMRMUZSFD-NSCUHMNNSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.27
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 1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine?
The IUPAC name of 1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine (CID 145347196) is 1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine is C/C=C/CN1CCC(OC(F)F)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine?
The InChIKey is WIRYAIMRMUZSFD-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-2-3-6-13-7-4-9(5-8-13)14-10(11)12/h2-3,9-10H,4-8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine?
1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine has a molecular weight of 205.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-4-(difluoromethoxy)piperidine is sourced from PubChem (CID 145347196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).