1-methyl-4-(2,2,2-trifluoroethoxy)piperidine

C8H14F3NO — CID 18722957

IUPAC1-methyl-4-(2,2,2-trifluoroethoxy)piperidine
SMILESCN1CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-12-4-2-7(3-5-12)13-6-8(9,10)11/h7H,2-6H2,1H3
InChIKeyVPCLNGXZTGPDBZ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.66
Rot. Bonds2

About 1-methyl-4-(2,2,2-trifluoroethoxy)piperidine

1-methyl-4-(2,2,2-trifluoroethoxy)piperidine (PubChem CID 18722957) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-methyl-4-(2,2,2-trifluoroethoxy)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2,2,2-trifluoroethoxy)piperidine
PubChem CID18722957
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-methyl-4-(2,2,2-trifluoroethoxy)piperidine
SMILESCN1CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-12-4-2-7(3-5-12)13-6-8(9,10)11/h7H,2-6H2,1H3
InChIKeyVPCLNGXZTGPDBZ-UHFFFAOYSA-N
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 66696136
CID 66696136
CID 18721519
CID 18721519
CID 18722960
CID 18722960
CID 18722979
CID 18722979
CID 18725553
CID 18725553
CID 18725559
CID 18725559
CID 18725560
CID 18725560
CID 21035025
CID 21035025
CID 22292469
CID 22292469
CID 57272360
CID 57272360
CID 58364950
CID 58364950
CID 58365115
CID 58365115

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,2-trifluoroethoxy)piperidine?
The IUPAC name of 1-methyl-4-(2,2,2-trifluoroethoxy)piperidine (CID 18722957) is 1-methyl-4-(2,2,2-trifluoroethoxy)piperidine.
What is the SMILES notation for 1-methyl-4-(2,2,2-trifluoroethoxy)piperidine?
The canonical SMILES for 1-methyl-4-(2,2,2-trifluoroethoxy)piperidine is CN1CCC(OCC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(2,2,2-trifluoroethoxy)piperidine?
The InChIKey is VPCLNGXZTGPDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-4-2-7(3-5-12)13-6-8(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 1-methyl-4-(2,2,2-trifluoroethoxy)piperidine?
1-methyl-4-(2,2,2-trifluoroethoxy)piperidine has a molecular weight of 197.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,2-trifluoroethoxy)piperidine is sourced from PubChem (CID 18722957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).