3-(3-methylbut-2-enoxy)piperidine;hydrochloride

C10H20ClNO — CID 46735648

IUPAC3-(3-methylbut-2-enoxy)piperidine;hydrochloride
SMILESCC(C)=CCOC1CCCNC1.Cl
InChIInChI=1S/C10H19NO.ClH/c1-9(2)5-7-12-10-4-3-6-11-8-10;/h5,10-11H,3-4,6-8H2,1-2H3;1H
InChIKeyRVQIOVCFSWLQNM-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.14
Rot. Bonds3

About 3-(3-methylbut-2-enoxy)piperidine;hydrochloride

3-(3-methylbut-2-enoxy)piperidine;hydrochloride (PubChem CID 46735648) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3-(3-methylbut-2-enoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(3-methylbut-2-enoxy)piperidine;hydrochloride
PubChem CID46735648
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3-(3-methylbut-2-enoxy)piperidine;hydrochloride
SMILESCC(C)=CCOC1CCCNC1.Cl
InChIInChI=1S/C10H19NO.ClH/c1-9(2)5-7-12-10-4-3-6-11-8-10;/h5,10-11H,3-4,6-8H2,1-2H3;1H
InChIKeyRVQIOVCFSWLQNM-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enoxy)piperidine;hydrochloride?
The IUPAC name of 3-(3-methylbut-2-enoxy)piperidine;hydrochloride (CID 46735648) is 3-(3-methylbut-2-enoxy)piperidine;hydrochloride.
What is the SMILES notation for 3-(3-methylbut-2-enoxy)piperidine;hydrochloride?
The canonical SMILES for 3-(3-methylbut-2-enoxy)piperidine;hydrochloride is CC(C)=CCOC1CCCNC1.Cl.
What is the InChIKey of 3-(3-methylbut-2-enoxy)piperidine;hydrochloride?
The InChIKey is RVQIOVCFSWLQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-9(2)5-7-12-10-4-3-6-11-8-10;/h5,10-11H,3-4,6-8H2,1-2H3;1H.
What are the key properties of 3-(3-methylbut-2-enoxy)piperidine;hydrochloride?
3-(3-methylbut-2-enoxy)piperidine;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enoxy)piperidine;hydrochloride is sourced from PubChem (CID 46735648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).