4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride

C11H22ClNO — CID 56829996

IUPAC4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride
SMILESC=C(C)COCCC1CCNCC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-10(2)9-13-8-5-11-3-6-12-7-4-11;/h11-12H,1,3-9H2,2H3;1H
InChIKeySCIBHOWIXUDNON-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.39
Rot. Bonds5

About 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride

4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride (PubChem CID 56829996) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride
PubChem CID56829996
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride
SMILESC=C(C)COCCC1CCNCC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-10(2)9-13-8-5-11-3-6-12-7-4-11;/h11-12H,1,3-9H2,2H3;1H
InChIKeySCIBHOWIXUDNON-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.39
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-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride (CID 56829996) is 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride is C=C(C)COCCC1CCNCC1.Cl.
What is the InChIKey of 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride?
The InChIKey is SCIBHOWIXUDNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-10(2)9-13-8-5-11-3-6-12-7-4-11;/h11-12H,1,3-9H2,2H3;1H.
What are the key properties of 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride?
4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56829996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).