[1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol

C9H17F3N2O — CID 61047127

IUPAC[1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
SMILESCN1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O/c1-14-4-2-8(7-15,3-5-14)13-6-9(10,11)12/h13,15H,2-7H2,1H3
InChIKeyWJYMIJGWLRSITH-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.60
Rot. Bonds3

About [1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol

[1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol (PubChem CID 61047127) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
PubChem CID61047127
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
SMILESCN1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O/c1-14-4-2-8(7-15,3-5-14)13-6-9(10,11)12/h13,15H,2-7H2,1H3
InChIKeyWJYMIJGWLRSITH-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 [1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The IUPAC name of [1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol (CID 61047127) is [1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The canonical SMILES for [1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol is CN1CCC(CO)(NCC(F)(F)F)CC1.
What is the InChIKey of [1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The InChIKey is WJYMIJGWLRSITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-14-4-2-8(7-15,3-5-14)13-6-9(10,11)12/h13,15H,2-7H2,1H3.
What are the key properties of [1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
[1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol 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 [1-methyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 61047127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).