4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine

C11H21NO — CID 131971570

IUPAC4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine
SMILESC=C(C(C)C)N1CCC(OC)CC1
InChIInChI=1S/C11H21NO/c1-9(2)10(3)12-7-5-11(13-4)6-8-12/h9,11H,3,5-8H2,1-2,4H3
InChIKeySRCQMNIWTKGVCO-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.27
Rot. Bonds3

About 4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine

4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine (PubChem CID 131971570) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine.

Molecular Properties

Compound Name4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine
PubChem CID131971570
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine
SMILESC=C(C(C)C)N1CCC(OC)CC1
InChIInChI=1S/C11H21NO/c1-9(2)10(3)12-7-5-11(13-4)6-8-12/h9,11H,3,5-8H2,1-2,4H3
InChIKeySRCQMNIWTKGVCO-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine?
The IUPAC name of 4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine (CID 131971570) is 4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine.
What is the SMILES notation for 4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine?
The canonical SMILES for 4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine is C=C(C(C)C)N1CCC(OC)CC1.
What is the InChIKey of 4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine?
The InChIKey is SRCQMNIWTKGVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)10(3)12-7-5-11(13-4)6-8-12/h9,11H,3,5-8H2,1-2,4H3.
What are the key properties of 4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine?
4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-methylbut-1-en-2-yl)piperidine is sourced from PubChem (CID 131971570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).