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

C9H18FNO — CID 59176312

IUPAC4-fluoro-4-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1(F)CCNCC1
InChIInChI=1S/C9H18FNO/c1-8(2)12-7-9(10)3-5-11-6-4-9/h8,11H,3-7H2,1-2H3
InChIKeyXSUULCDSWJQWIY-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds3

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

4-fluoro-4-(propan-2-yloxymethyl)piperidine (PubChem CID 59176312) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-fluoro-4-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(propan-2-yloxymethyl)piperidine
PubChem CID59176312
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-fluoro-4-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1(F)CCNCC1
InChIInChI=1S/C9H18FNO/c1-8(2)12-7-9(10)3-5-11-6-4-9/h8,11H,3-7H2,1-2H3
InChIKeyXSUULCDSWJQWIY-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 4-fluoro-4-(propan-2-yloxymethyl)piperidine (CID 59176312) is 4-fluoro-4-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 4-fluoro-4-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 4-fluoro-4-(propan-2-yloxymethyl)piperidine is CC(C)OCC1(F)CCNCC1.
What is the InChIKey of 4-fluoro-4-(propan-2-yloxymethyl)piperidine?
The InChIKey is XSUULCDSWJQWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)12-7-9(10)3-5-11-6-4-9/h8,11H,3-7H2,1-2H3.
What are the key properties of 4-fluoro-4-(propan-2-yloxymethyl)piperidine?
4-fluoro-4-(propan-2-yloxymethyl)piperidine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 59176312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).