3-fluoro-1-methyl-4-propan-2-yloxypiperidine

C9H18FNO — CID 59176306

IUPAC3-fluoro-1-methyl-4-propan-2-yloxypiperidine
SMILESCC(C)OC1CCN(C)CC1F
InChIInChI=1S/C9H18FNO/c1-7(2)12-9-4-5-11(3)6-8(9)10/h7-9H,4-6H2,1-3H3
InChIKeyWLIZIUFZJSQHCT-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.45
Rot. Bonds2

About 3-fluoro-1-methyl-4-propan-2-yloxypiperidine

3-fluoro-1-methyl-4-propan-2-yloxypiperidine (PubChem CID 59176306) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-1-methyl-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-4-propan-2-yloxypiperidine
PubChem CID59176306
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-1-methyl-4-propan-2-yloxypiperidine
SMILESCC(C)OC1CCN(C)CC1F
InChIInChI=1S/C9H18FNO/c1-7(2)12-9-4-5-11(3)6-8(9)10/h7-9H,4-6H2,1-3H3
InChIKeyWLIZIUFZJSQHCT-UHFFFAOYSA-N
XLogP1.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-1-methyl-4-propan-2-yloxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-4-propan-2-yloxypiperidine?
The IUPAC name of 3-fluoro-1-methyl-4-propan-2-yloxypiperidine (CID 59176306) is 3-fluoro-1-methyl-4-propan-2-yloxypiperidine.
What is the SMILES notation for 3-fluoro-1-methyl-4-propan-2-yloxypiperidine?
The canonical SMILES for 3-fluoro-1-methyl-4-propan-2-yloxypiperidine is CC(C)OC1CCN(C)CC1F.
What is the InChIKey of 3-fluoro-1-methyl-4-propan-2-yloxypiperidine?
The InChIKey is WLIZIUFZJSQHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)12-9-4-5-11(3)6-8(9)10/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-1-methyl-4-propan-2-yloxypiperidine?
3-fluoro-1-methyl-4-propan-2-yloxypiperidine has a molecular weight of 175.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-4-propan-2-yloxypiperidine is sourced from PubChem (CID 59176306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).