3-[(E)-but-2-enoxy]piperidine

C9H17NO — CID 62329214

IUPAC3-[(E)-but-2-enoxy]piperidine
SMILESC/C=C/COC1CCCNC1
InChIInChI=1S/C9H17NO/c1-2-3-7-11-9-5-4-6-10-8-9/h2-3,9-10H,4-8H2,1H3/b3-2+
InChIKeyMDMQORFNPNGCCC-NSCUHMNNSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

About 3-[(E)-but-2-enoxy]piperidine

3-[(E)-but-2-enoxy]piperidine (PubChem CID 62329214) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-[(E)-but-2-enoxy]piperidine.

Molecular Properties

Compound Name3-[(E)-but-2-enoxy]piperidine
PubChem CID62329214
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-[(E)-but-2-enoxy]piperidine
SMILESC/C=C/COC1CCCNC1
InChIInChI=1S/C9H17NO/c1-2-3-7-11-9-5-4-6-10-8-9/h2-3,9-10H,4-8H2,1H3/b3-2+
InChIKeyMDMQORFNPNGCCC-NSCUHMNNSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 3-[(E)-but-2-enoxy]piperidine?
The IUPAC name of 3-[(E)-but-2-enoxy]piperidine (CID 62329214) is 3-[(E)-but-2-enoxy]piperidine.
What is the SMILES notation for 3-[(E)-but-2-enoxy]piperidine?
The canonical SMILES for 3-[(E)-but-2-enoxy]piperidine is C/C=C/COC1CCCNC1.
What is the InChIKey of 3-[(E)-but-2-enoxy]piperidine?
The InChIKey is MDMQORFNPNGCCC-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-7-11-9-5-4-6-10-8-9/h2-3,9-10H,4-8H2,1H3/b3-2+.
What are the key properties of 3-[(E)-but-2-enoxy]piperidine?
3-[(E)-but-2-enoxy]piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enoxy]piperidine is sourced from PubChem (CID 62329214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).