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

C12H25F3N2O — CID 144802180

IUPACethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
SMILESCC.CN1CCC(CO)(CNCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O.C2H6/c1-15-4-2-9(8-16,3-5-15)6-14-7-10(11,12)13;1-2/h14,16H,2-8H2,1H3;1-2H3
InChIKeyIFQCZWPJIRLTJE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.87
Rot. Bonds4

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

ethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol (PubChem CID 144802180) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is ethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Nameethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
PubChem CID144802180
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Nameethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
SMILESCC.CN1CCC(CO)(CNCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O.C2H6/c1-15-4-2-9(8-16,3-5-15)6-14-7-10(11,12)13;1-2/h14,16H,2-8H2,1H3;1-2H3
InChIKeyIFQCZWPJIRLTJE-UHFFFAOYSA-N
XLogP1.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
The IUPAC name of ethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol (CID 144802180) is ethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for ethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
The canonical SMILES for ethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol is CC.CN1CCC(CO)(CNCC(F)(F)F)CC1.
What is the InChIKey of ethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
The InChIKey is IFQCZWPJIRLTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O.C2H6/c1-15-4-2-9(8-16,3-5-15)6-14-7-10(11,12)13;1-2/h14,16H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
ethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol has a molecular weight of 270.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 144802180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).