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

C9H17F3N2O — CID 62222201

IUPAC4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
SMILESCN(CC(F)(F)F)CC1(O)CCNCC1
InChIInChI=1S/C9H17F3N2O/c1-14(7-9(10,11)12)6-8(15)2-4-13-5-3-8/h13,15H,2-7H2,1H3
InChIKeyFQPGQCBGDHXNTR-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.60
Rot. Bonds3

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

4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol (PubChem CID 62222201) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
PubChem CID62222201
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
SMILESCN(CC(F)(F)F)CC1(O)CCNCC1
InChIInChI=1S/C9H17F3N2O/c1-14(7-9(10,11)12)6-8(15)2-4-13-5-3-8/h13,15H,2-7H2,1H3
InChIKeyFQPGQCBGDHXNTR-UHFFFAOYSA-N
XLogP0.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol (CID 62222201) is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol is CN(CC(F)(F)F)CC1(O)CCNCC1.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
The InChIKey is FQPGQCBGDHXNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-14(7-9(10,11)12)6-8(15)2-4-13-5-3-8/h13,15H,2-7H2,1H3.
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol has a molecular weight of 226.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol is sourced from PubChem (CID 62222201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).