2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride

C12H24ClNO2 — CID 56830008

IUPAC2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride
SMILESC=CCOCCOCCC1CCCCN1.Cl
InChIInChI=1S/C12H23NO2.ClH/c1-2-8-14-10-11-15-9-6-12-5-3-4-7-13-12;/h2,12-13H,1,3-11H2;1H
InChIKeyQVHXOZKVHFSHII-UHFFFAOYSA-N
MW249.78 g/mol
LogP2.16
Rot. Bonds8

About 2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride

2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride (PubChem CID 56830008) has the molecular formula C12H24ClNO2 and a molecular weight of 249.78 g/mol. Its IUPAC name is 2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride
PubChem CID56830008
Molecular FormulaC12H24ClNO2
Molecular Weight249.78 g/mol
Exact Mass249.15
IUPAC Name2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride
SMILESC=CCOCCOCCC1CCCCN1.Cl
InChIInChI=1S/C12H23NO2.ClH/c1-2-8-14-10-11-15-9-6-12-5-3-4-7-13-12;/h2,12-13H,1,3-11H2;1H
InChIKeyQVHXOZKVHFSHII-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride (CID 56830008) is 2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride is C=CCOCCOCCC1CCCCN1.Cl.
What is the InChIKey of 2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride?
The InChIKey is QVHXOZKVHFSHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.ClH/c1-2-8-14-10-11-15-9-6-12-5-3-4-7-13-12;/h2,12-13H,1,3-11H2;1H.
What are the key properties of 2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride?
2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride has a molecular weight of 249.78 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-prop-2-enoxyethoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56830008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).