1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol

C13H25F3N2O — CID 83992116

IUPAC1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(F)(F)F)CN(CC)C1
InChIInChI=1S/C13H25F3N2O/c1-3-12(19)6-10-5-11(8-18(4-2)7-10)17-9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3
InChIKeyXCRBHKGWMJHALH-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds6

About 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol

1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83992116) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
PubChem CID83992116
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(F)(F)F)CN(CC)C1
InChIInChI=1S/C13H25F3N2O/c1-3-12(19)6-10-5-11(8-18(4-2)7-10)17-9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3
InChIKeyXCRBHKGWMJHALH-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

(1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol
CID 163637378
2-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992066
3-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992075
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992076
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992077
3-Methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
3,3-Dimethyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992079
1-Cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992080
2-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992105
3-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992112
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992114

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (CID 83992116) is 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is CCC(O)CC1CC(NCC(F)(F)F)CN(CC)C1.
What is the InChIKey of 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is XCRBHKGWMJHALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-12(19)6-10-5-11(8-18(4-2)7-10)17-9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3.
What are the key properties of 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol has a molecular weight of 282.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83992116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).