1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine

C11H21NO — CID 171838523

IUPAC1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine
SMILESC=C(C)OCC1CCN(CC)CC1
InChIInChI=1S/C11H21NO/c1-4-12-7-5-11(6-8-12)9-13-10(2)3/h11H,2,4-9H2,1,3H3
InChIKeyRYWBSZCLYRNPCH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.27
Rot. Bonds4

About 1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine

1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine (PubChem CID 171838523) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine
PubChem CID171838523
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine
SMILESC=C(C)OCC1CCN(CC)CC1
InChIInChI=1S/C11H21NO/c1-4-12-7-5-11(6-8-12)9-13-10(2)3/h11H,2,4-9H2,1,3H3
InChIKeyRYWBSZCLYRNPCH-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

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 1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine?
The IUPAC name of 1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine (CID 171838523) is 1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine.
What is the SMILES notation for 1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine?
The canonical SMILES for 1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine is C=C(C)OCC1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine?
The InChIKey is RYWBSZCLYRNPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-12-7-5-11(6-8-12)9-13-10(2)3/h11H,2,4-9H2,1,3H3.
What are the key properties of 1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine?
1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(prop-1-en-2-yloxymethyl)piperidine is sourced from PubChem (CID 171838523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).