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

C13H25F3N2O — CID 83992435

IUPAC1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCCC(C)N1CC(NCC(F)(F)F)CC(C(C)O)C1
InChIInChI=1S/C13H25F3N2O/c1-4-9(2)18-6-11(10(3)19)5-12(7-18)17-8-13(14,15)16/h9-12,17,19H,4-8H2,1-3H3
InChIKeyIRDZTOXZPKHFAE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds5

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

1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992435) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992435
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCCC(C)N1CC(NCC(F)(F)F)CC(C(C)O)C1
InChIInChI=1S/C13H25F3N2O/c1-4-9(2)18-6-11(10(3)19)5-12(7-18)17-8-13(14,15)16/h9-12,17,19H,4-8H2,1-3H3
InChIKeyIRDZTOXZPKHFAE-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

[(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol
CID 134429520
[(3S)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol
CID 134438311
(5,5-Difluoro-2-methylpiperidin-3-yl)methanol
CID 139343290
1-(3-Amino-3-piperidyl)-2,2,2-trifluoro-ethanol
CID 156069915
1-(3-Amino-3-piperidyl)-2,2-difluoro-ethanol
CID 156070032
4-[[5-(Trifluoromethyl)piperidin-3-yl]amino]cyclohexan-1-ol
CID 174923469
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-3-yl]methanol
CID 43752760
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol
CID 61647651
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-3-yl]methanol
CID 61647652
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-4-yl]methanol
CID 61648235
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methanol
CID 61648236
3-(Methylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65533676

Frequently Asked Questions

What is the IUPAC name of 1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992435) is 1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CCC(C)N1CC(NCC(F)(F)F)CC(C(C)O)C1.
What is the InChIKey of 1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is IRDZTOXZPKHFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-4-9(2)18-6-11(10(3)19)5-12(7-18)17-8-13(14,15)16/h9-12,17,19H,4-8H2,1-3H3.
What are the key properties of 1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 282.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).