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

C12H24ClNO — CID 53408886

IUPAC2-(2-pent-4-enoxyethyl)piperidine;hydrochloride
SMILESC=CCCCOCCC1CCCCN1.Cl
InChIInChI=1S/C12H23NO.ClH/c1-2-3-6-10-14-11-8-12-7-4-5-9-13-12;/h2,12-13H,1,3-11H2;1H
InChIKeyZMWSQKXCTOYHIM-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.92
Rot. Bonds7

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

2-(2-pent-4-enoxyethyl)piperidine;hydrochloride (PubChem CID 53408886) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 2-(2-pent-4-enoxyethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(2-pent-4-enoxyethyl)piperidine;hydrochloride
PubChem CID53408886
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name2-(2-pent-4-enoxyethyl)piperidine;hydrochloride
SMILESC=CCCCOCCC1CCCCN1.Cl
InChIInChI=1S/C12H23NO.ClH/c1-2-3-6-10-14-11-8-12-7-4-5-9-13-12;/h2,12-13H,1,3-11H2;1H
InChIKeyZMWSQKXCTOYHIM-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.92
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 2-(2-pent-4-enoxyethyl)piperidine;hydrochloride?
The IUPAC name of 2-(2-pent-4-enoxyethyl)piperidine;hydrochloride (CID 53408886) is 2-(2-pent-4-enoxyethyl)piperidine;hydrochloride.
What is the SMILES notation for 2-(2-pent-4-enoxyethyl)piperidine;hydrochloride?
The canonical SMILES for 2-(2-pent-4-enoxyethyl)piperidine;hydrochloride is C=CCCCOCCC1CCCCN1.Cl.
What is the InChIKey of 2-(2-pent-4-enoxyethyl)piperidine;hydrochloride?
The InChIKey is ZMWSQKXCTOYHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.ClH/c1-2-3-6-10-14-11-8-12-7-4-5-9-13-12;/h2,12-13H,1,3-11H2;1H.
What are the key properties of 2-(2-pent-4-enoxyethyl)piperidine;hydrochloride?
2-(2-pent-4-enoxyethyl)piperidine;hydrochloride has a molecular weight of 233.78 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pent-4-enoxyethyl)piperidine;hydrochloride is sourced from PubChem (CID 53408886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).