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

C15H29F3N2O — CID 83992118

IUPAC1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol
SMILESCCN1CC(CC(O)C(C)(C)C)CC(NCC(F)(F)F)C1
InChIInChI=1S/C15H29F3N2O/c1-5-20-8-11(7-13(21)14(2,3)4)6-12(9-20)19-10-15(16,17)18/h11-13,19,21H,5-10H2,1-4H3
InChIKeyGTIAZXQRQJJSEL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.65
Rot. Bonds5

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

1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol (PubChem CID 83992118) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol
PubChem CID83992118
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol
SMILESCCN1CC(CC(O)C(C)(C)C)CC(NCC(F)(F)F)C1
InChIInChI=1S/C15H29F3N2O/c1-5-20-8-11(7-13(21)14(2,3)4)6-12(9-20)19-10-15(16,17)18/h11-13,19,21H,5-10H2,1-4H3
InChIKeyGTIAZXQRQJJSEL-UHFFFAOYSA-N
XLogP2.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol with MolForge

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Related Compounds

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
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992115

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol (CID 83992118) is 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol is CCN1CC(CC(O)C(C)(C)C)CC(NCC(F)(F)F)C1.
What is the InChIKey of 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol?
The InChIKey is GTIAZXQRQJJSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-5-20-8-11(7-13(21)14(2,3)4)6-12(9-20)19-10-15(16,17)18/h11-13,19,21H,5-10H2,1-4H3.
What are the key properties of 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol?
1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol has a molecular weight of 310.40 g/mol, XLogP of 2.65, 5 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]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 83992118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).