4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol

C11H21F3N2O — CID 62222206

IUPAC4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
SMILESCCCN(CC(F)(F)F)CC1(O)CCNCC1
InChIInChI=1S/C11H21F3N2O/c1-2-7-16(9-11(12,13)14)8-10(17)3-5-15-6-4-10/h15,17H,2-9H2,1H3
InChIKeyHBLAGEITHBWZIE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.38
Rot. Bonds5

About 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol

4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol (PubChem CID 62222206) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
PubChem CID62222206
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
SMILESCCCN(CC(F)(F)F)CC1(O)CCNCC1
InChIInChI=1S/C11H21F3N2O/c1-2-7-16(9-11(12,13)14)8-10(17)3-5-15-6-4-10/h15,17H,2-9H2,1H3
InChIKeyHBLAGEITHBWZIE-UHFFFAOYSA-N
XLogP1.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol (CID 62222206) is 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol is CCCN(CC(F)(F)F)CC1(O)CCNCC1.
What is the InChIKey of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
The InChIKey is HBLAGEITHBWZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-7-16(9-11(12,13)14)8-10(17)3-5-15-6-4-10/h15,17H,2-9H2,1H3.
What are the key properties of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol has a molecular weight of 254.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol is sourced from PubChem (CID 62222206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).