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

C11H22ClNO — CID 56830000

IUPAC2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride
SMILESC=C(C)COCCC1CCCCN1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-10(2)9-13-8-6-11-5-3-4-7-12-11;/h11-12H,1,3-9H2,2H3;1H
InChIKeyPEQJLSSMDYDNFU-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.53
Rot. Bonds5

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

2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride (PubChem CID 56830000) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride
PubChem CID56830000
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride
SMILESC=C(C)COCCC1CCCCN1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-10(2)9-13-8-6-11-5-3-4-7-12-11;/h11-12H,1,3-9H2,2H3;1H
InChIKeyPEQJLSSMDYDNFU-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride (CID 56830000) is 2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride is C=C(C)COCCC1CCCCN1.Cl.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride?
The InChIKey is PEQJLSSMDYDNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-10(2)9-13-8-6-11-5-3-4-7-12-11;/h11-12H,1,3-9H2,2H3;1H.
What are the key properties of 2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride?
2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56830000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).