4-(2-pent-4-enoxyethyl)piperidine

C12H23NO — CID 53409994

IUPAC4-(2-pent-4-enoxyethyl)piperidine
SMILESC=CCCCOCCC1CCNCC1
InChIInChI=1S/C12H23NO/c1-2-3-4-10-14-11-7-12-5-8-13-9-6-12/h2,12-13H,1,3-11H2
InChIKeyDGTVXDGUUPLMOS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds7

About 4-(2-pent-4-enoxyethyl)piperidine

4-(2-pent-4-enoxyethyl)piperidine (PubChem CID 53409994) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(2-pent-4-enoxyethyl)piperidine.

Molecular Properties

Compound Name4-(2-pent-4-enoxyethyl)piperidine
PubChem CID53409994
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(2-pent-4-enoxyethyl)piperidine
SMILESC=CCCCOCCC1CCNCC1
InChIInChI=1S/C12H23NO/c1-2-3-4-10-14-11-7-12-5-8-13-9-6-12/h2,12-13H,1,3-11H2
InChIKeyDGTVXDGUUPLMOS-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pent-4-enoxyethyl)piperidine?
The IUPAC name of 4-(2-pent-4-enoxyethyl)piperidine (CID 53409994) is 4-(2-pent-4-enoxyethyl)piperidine.
What is the SMILES notation for 4-(2-pent-4-enoxyethyl)piperidine?
The canonical SMILES for 4-(2-pent-4-enoxyethyl)piperidine is C=CCCCOCCC1CCNCC1.
What is the InChIKey of 4-(2-pent-4-enoxyethyl)piperidine?
The InChIKey is DGTVXDGUUPLMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-10-14-11-7-12-5-8-13-9-6-12/h2,12-13H,1,3-11H2.
What are the key properties of 4-(2-pent-4-enoxyethyl)piperidine?
4-(2-pent-4-enoxyethyl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pent-4-enoxyethyl)piperidine is sourced from PubChem (CID 53409994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).