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

C13H25F3N2O — CID 130315581

IUPAC[1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
SMILESCC(C)(C)N1CCC(CO)(CNCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-11(2,3)18-6-4-12(10-19,5-7-18)8-17-9-13(14,15)16/h17,19H,4-10H2,1-3H3
InChIKeyJKFDGTYZVPYGNN-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds4

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

[1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol (PubChem CID 130315581) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is [1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
PubChem CID130315581
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name[1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol
SMILESCC(C)(C)N1CCC(CO)(CNCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-11(2,3)18-6-4-12(10-19,5-7-18)8-17-9-13(14,15)16/h17,19H,4-10H2,1-3H3
InChIKeyJKFDGTYZVPYGNN-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol (CID 130315581) is [1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol is CC(C)(C)N1CCC(CO)(CNCC(F)(F)F)CC1.
What is the InChIKey of [1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
The InChIKey is JKFDGTYZVPYGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-11(2,3)18-6-4-12(10-19,5-7-18)8-17-9-13(14,15)16/h17,19H,4-10H2,1-3H3.
What are the key properties of [1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol?
[1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol has a molecular weight of 282.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 130315581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).