3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride

C10H20ClNO2 — CID 53409511

IUPAC3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride
SMILESC=CCOCCOC1CCCNC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-6-12-7-8-13-10-4-3-5-11-9-10;/h2,10-11H,1,3-9H2;1H
InChIKeyAAXBQRYMECYGFX-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.38
Rot. Bonds6

About 3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride

3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride (PubChem CID 53409511) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride
PubChem CID53409511
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride
SMILESC=CCOCCOC1CCCNC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-6-12-7-8-13-10-4-3-5-11-9-10;/h2,10-11H,1,3-9H2;1H
InChIKeyAAXBQRYMECYGFX-UHFFFAOYSA-N
XLogP1.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.38
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 3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride?
The IUPAC name of 3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride (CID 53409511) is 3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride.
What is the SMILES notation for 3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride?
The canonical SMILES for 3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride is C=CCOCCOC1CCCNC1.Cl.
What is the InChIKey of 3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride?
The InChIKey is AAXBQRYMECYGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-2-6-12-7-8-13-10-4-3-5-11-9-10;/h2,10-11H,1,3-9H2;1H.
What are the key properties of 3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride?
3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-2-enoxyethoxy)piperidine;hydrochloride is sourced from PubChem (CID 53409511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).