1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine

C11H22FNO — CID 156512314

IUPAC1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine
SMILESCCN1CCC(F)CC1COC(C)C
InChIInChI=1S/C11H22FNO/c1-4-13-6-5-10(12)7-11(13)8-14-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyLWFVUORXVCIHKL-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.23
Rot. Bonds4

About 1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine

1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine (PubChem CID 156512314) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine
PubChem CID156512314
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine
SMILESCCN1CCC(F)CC1COC(C)C
InChIInChI=1S/C11H22FNO/c1-4-13-6-5-10(12)7-11(13)8-14-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyLWFVUORXVCIHKL-UHFFFAOYSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine (CID 156512314) is 1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine is CCN1CCC(F)CC1COC(C)C.
What is the InChIKey of 1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine?
The InChIKey is LWFVUORXVCIHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-4-13-6-5-10(12)7-11(13)8-14-9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine?
1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine has a molecular weight of 203.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 156512314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).