ethane;1-methyl-4-prop-1-en-2-yloxypiperidine

C11H23NO — CID 144871605

IUPACethane;1-methyl-4-prop-1-en-2-yloxypiperidine
SMILESC=C(C)OC1CCN(C)CC1.CC
InChIInChI=1S/C9H17NO.C2H6/c1-8(2)11-9-4-6-10(3)7-5-9;1-2/h9H,1,4-7H2,2-3H3;1-2H3
InChIKeyUPZAWTZDFVVBQW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.66
Rot. Bonds2

About ethane;1-methyl-4-prop-1-en-2-yloxypiperidine

ethane;1-methyl-4-prop-1-en-2-yloxypiperidine (PubChem CID 144871605) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;1-methyl-4-prop-1-en-2-yloxypiperidine.

Molecular Properties

Compound Nameethane;1-methyl-4-prop-1-en-2-yloxypiperidine
PubChem CID144871605
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;1-methyl-4-prop-1-en-2-yloxypiperidine
SMILESC=C(C)OC1CCN(C)CC1.CC
InChIInChI=1S/C9H17NO.C2H6/c1-8(2)11-9-4-6-10(3)7-5-9;1-2/h9H,1,4-7H2,2-3H3;1-2H3
InChIKeyUPZAWTZDFVVBQW-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-prop-1-en-2-yloxypiperidine?
The IUPAC name of ethane;1-methyl-4-prop-1-en-2-yloxypiperidine (CID 144871605) is ethane;1-methyl-4-prop-1-en-2-yloxypiperidine.
What is the SMILES notation for ethane;1-methyl-4-prop-1-en-2-yloxypiperidine?
The canonical SMILES for ethane;1-methyl-4-prop-1-en-2-yloxypiperidine is C=C(C)OC1CCN(C)CC1.CC.
What is the InChIKey of ethane;1-methyl-4-prop-1-en-2-yloxypiperidine?
The InChIKey is UPZAWTZDFVVBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-8(2)11-9-4-6-10(3)7-5-9;1-2/h9H,1,4-7H2,2-3H3;1-2H3.
What are the key properties of ethane;1-methyl-4-prop-1-en-2-yloxypiperidine?
ethane;1-methyl-4-prop-1-en-2-yloxypiperidine has a molecular weight of 185.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-prop-1-en-2-yloxypiperidine is sourced from PubChem (CID 144871605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).