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

C10H19F3N2O — CID 61046380

IUPAC[1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
SMILESCCN1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-2-15-5-3-9(8-16,4-6-15)14-7-10(11,12)13/h14,16H,2-8H2,1H3
InChIKeyINFHWJOLLIVDKK-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.99
Rot. Bonds4

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

[1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol (PubChem CID 61046380) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is [1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
PubChem CID61046380
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
SMILESCCN1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-2-15-5-3-9(8-16,4-6-15)14-7-10(11,12)13/h14,16H,2-8H2,1H3
InChIKeyINFHWJOLLIVDKK-UHFFFAOYSA-N
XLogP0.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The IUPAC name of [1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol (CID 61046380) is [1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The canonical SMILES for [1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol is CCN1CCC(CO)(NCC(F)(F)F)CC1.
What is the InChIKey of [1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The InChIKey is INFHWJOLLIVDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-2-15-5-3-9(8-16,4-6-15)14-7-10(11,12)13/h14,16H,2-8H2,1H3.
What are the key properties of [1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
[1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol has a molecular weight of 240.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 61046380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).