1-methyl-4-(3,3,3-trifluoropropoxy)piperidine

C9H16F3NO — CID 18722960

IUPAC1-methyl-4-(3,3,3-trifluoropropoxy)piperidine
SMILESCN1CCC(OCCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-13-5-2-8(3-6-13)14-7-4-9(10,11)12/h8H,2-7H2,1H3
InChIKeyGLWCFXUNJOBEST-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.05
Rot. Bonds3

About 1-methyl-4-(3,3,3-trifluoropropoxy)piperidine

1-methyl-4-(3,3,3-trifluoropropoxy)piperidine (PubChem CID 18722960) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-methyl-4-(3,3,3-trifluoropropoxy)piperidine.

Molecular Properties

Compound Name1-methyl-4-(3,3,3-trifluoropropoxy)piperidine
PubChem CID18722960
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-methyl-4-(3,3,3-trifluoropropoxy)piperidine
SMILESCN1CCC(OCCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-13-5-2-8(3-6-13)14-7-4-9(10,11)12/h8H,2-7H2,1H3
InChIKeyGLWCFXUNJOBEST-UHFFFAOYSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3,3,3-trifluoropropoxy)piperidine?
The IUPAC name of 1-methyl-4-(3,3,3-trifluoropropoxy)piperidine (CID 18722960) is 1-methyl-4-(3,3,3-trifluoropropoxy)piperidine.
What is the SMILES notation for 1-methyl-4-(3,3,3-trifluoropropoxy)piperidine?
The canonical SMILES for 1-methyl-4-(3,3,3-trifluoropropoxy)piperidine is CN1CCC(OCCC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(3,3,3-trifluoropropoxy)piperidine?
The InChIKey is GLWCFXUNJOBEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-5-2-8(3-6-13)14-7-4-9(10,11)12/h8H,2-7H2,1H3.
What are the key properties of 1-methyl-4-(3,3,3-trifluoropropoxy)piperidine?
1-methyl-4-(3,3,3-trifluoropropoxy)piperidine has a molecular weight of 211.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3,3,3-trifluoropropoxy)piperidine is sourced from PubChem (CID 18722960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).