3-(2-pent-4-enoxyethyl)piperidine

C12H23NO — CID 53409505

IUPAC3-(2-pent-4-enoxyethyl)piperidine
SMILESC=CCCCOCCC1CCCNC1
InChIInChI=1S/C12H23NO/c1-2-3-4-9-14-10-7-12-6-5-8-13-11-12/h2,12-13H,1,3-11H2
InChIKeySJMDESICAXTNHZ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds7

About 3-(2-pent-4-enoxyethyl)piperidine

3-(2-pent-4-enoxyethyl)piperidine (PubChem CID 53409505) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(2-pent-4-enoxyethyl)piperidine.

Molecular Properties

Compound Name3-(2-pent-4-enoxyethyl)piperidine
PubChem CID53409505
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(2-pent-4-enoxyethyl)piperidine
SMILESC=CCCCOCCC1CCCNC1
InChIInChI=1S/C12H23NO/c1-2-3-4-9-14-10-7-12-6-5-8-13-11-12/h2,12-13H,1,3-11H2
InChIKeySJMDESICAXTNHZ-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 3-(2-pent-4-enoxyethyl)piperidine?
The IUPAC name of 3-(2-pent-4-enoxyethyl)piperidine (CID 53409505) is 3-(2-pent-4-enoxyethyl)piperidine.
What is the SMILES notation for 3-(2-pent-4-enoxyethyl)piperidine?
The canonical SMILES for 3-(2-pent-4-enoxyethyl)piperidine is C=CCCCOCCC1CCCNC1.
What is the InChIKey of 3-(2-pent-4-enoxyethyl)piperidine?
The InChIKey is SJMDESICAXTNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-9-14-10-7-12-6-5-8-13-11-12/h2,12-13H,1,3-11H2.
What are the key properties of 3-(2-pent-4-enoxyethyl)piperidine?
3-(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 3-(2-pent-4-enoxyethyl)piperidine is sourced from PubChem (CID 53409505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).