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

C12H23F3N2O — CID 83992115

IUPAC1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC(F)(F)F)CN(CC)C1
InChIInChI=1S/C12H23F3N2O/c1-3-11(18)9-5-10(7-17(4-2)6-9)16-8-12(13,14)15/h9-11,16,18H,3-8H2,1-2H3
InChIKeyINEYNCQUVCGRDP-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.62
Rot. Bonds5

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

1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83992115) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
PubChem CID83992115
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC(F)(F)F)CN(CC)C1
InChIInChI=1S/C12H23F3N2O/c1-3-11(18)9-5-10(7-17(4-2)6-9)16-8-12(13,14)15/h9-11,16,18H,3-8H2,1-2H3
InChIKeyINEYNCQUVCGRDP-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Amino-3-piperidyl)-2,2,2-trifluoro-ethanol
CID 156069915
1-(3-Amino-3-piperidyl)-2,2-difluoro-ethanol
CID 156070032
[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
3-(Methylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65533676
3-(Ethylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65534461
3-(Methylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65534647
3-(Propylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65535228
3-(Ethylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65535822
3-(Propylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65536223
4,4,4-Trifluoro-1-piperidin-3-ylbutan-1-ol
CID 80559448

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (CID 83992115) is 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is CCC(O)C1CC(NCC(F)(F)F)CN(CC)C1.
What is the InChIKey of 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is INEYNCQUVCGRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-11(18)9-5-10(7-17(4-2)6-9)16-8-12(13,14)15/h9-11,16,18H,3-8H2,1-2H3.
What are the key properties of 1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
1-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 1.62, 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]propan-1-ol is sourced from PubChem (CID 83992115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).