1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine

C13H23F3N2O — CID 156735113

IUPAC1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine
SMILESFC(F)(F)COCC1CCCN(C2CCNCC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-19-9-11-2-1-7-18(8-11)12-3-5-17-6-4-12/h11-12,17H,1-10H2
InChIKeyRAXJGHZXVXCQJM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds4

About 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine

1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine (PubChem CID 156735113) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine.

Molecular Properties

Compound Name1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine
PubChem CID156735113
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine
SMILESFC(F)(F)COCC1CCCN(C2CCNCC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-19-9-11-2-1-7-18(8-11)12-3-5-17-6-4-12/h11-12,17H,1-10H2
InChIKeyRAXJGHZXVXCQJM-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine?
The IUPAC name of 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine (CID 156735113) is 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine.
What is the SMILES notation for 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine?
The canonical SMILES for 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine is FC(F)(F)COCC1CCCN(C2CCNCC2)C1.
What is the InChIKey of 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine?
The InChIKey is RAXJGHZXVXCQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-19-9-11-2-1-7-18(8-11)12-3-5-17-6-4-12/h11-12,17H,1-10H2.
What are the key properties of 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine?
1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine is sourced from PubChem (CID 156735113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).