4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine

C10H20FNO — CID 169201830

IUPAC4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1CN(C)CCC1F
InChIInChI=1S/C10H20FNO/c1-8(2)13-7-9-6-12(3)5-4-10(9)11/h8-10H,4-7H2,1-3H3
InChIKeyUARROSGLJDJOQP-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.70
Rot. Bonds3

About 4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine

4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine (PubChem CID 169201830) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
PubChem CID169201830
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1CN(C)CCC1F
InChIInChI=1S/C10H20FNO/c1-8(2)13-7-9-6-12(3)5-4-10(9)11/h8-10H,4-7H2,1-3H3
InChIKeyUARROSGLJDJOQP-UHFFFAOYSA-N
XLogP1.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine (CID 169201830) is 4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine is CC(C)OCC1CN(C)CCC1F.
What is the InChIKey of 4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine?
The InChIKey is UARROSGLJDJOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8(2)13-7-9-6-12(3)5-4-10(9)11/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine?
4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine has a molecular weight of 189.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 169201830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).