ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine

C17H35F3N2O — CID 144877680

IUPACethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine
SMILESCC.CN1CCC(C(F)(F)F)CC1.CN1CCCCC1CCO
InChIInChI=1S/C8H17NO.C7H12F3N.C2H6/c1-9-6-3-2-4-8(9)5-7-10;1-11-4-2-6(3-5-11)7(8,9)10;1-2/h8,10H,2-7H2,1H3;6H,2-5H2,1H3;1-2H3
InChIKeyGEEVTFJMZATRHG-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.77
Rot. Bonds2

About ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine

ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine (PubChem CID 144877680) has the molecular formula C17H35F3N2O and a molecular weight of 340.47 g/mol. Its IUPAC name is ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Nameethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine
PubChem CID144877680
Molecular FormulaC17H35F3N2O
Molecular Weight340.47 g/mol
Exact Mass340.27
IUPAC Nameethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine
SMILESCC.CN1CCC(C(F)(F)F)CC1.CN1CCCCC1CCO
InChIInChI=1S/C8H17NO.C7H12F3N.C2H6/c1-9-6-3-2-4-8(9)5-7-10;1-11-4-2-6(3-5-11)7(8,9)10;1-2/h8,10H,2-7H2,1H3;6H,2-5H2,1H3;1-2H3
InChIKeyGEEVTFJMZATRHG-UHFFFAOYSA-N
XLogP3.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine?
The IUPAC name of ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine (CID 144877680) is ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine is CC.CN1CCC(C(F)(F)F)CC1.CN1CCCCC1CCO.
What is the InChIKey of ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine?
The InChIKey is GEEVTFJMZATRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C7H12F3N.C2H6/c1-9-6-3-2-4-8(9)5-7-10;1-11-4-2-6(3-5-11)7(8,9)10;1-2/h8,10H,2-7H2,1H3;6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine?
ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine has a molecular weight of 340.47 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 144877680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).