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

C12H23F3N2O — CID 83992112

IUPAC3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCN1CC(CCCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-2-17-7-10(4-3-5-18)6-11(8-17)16-9-12(13,14)15/h10-11,16,18H,2-9H2,1H3
InChIKeyAQIYZTFUFPSXHZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.62
Rot. Bonds6

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

3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83992112) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
PubChem CID83992112
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCN1CC(CCCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-2-17-7-10(4-3-5-18)6-11(8-17)16-9-12(13,14)15/h10-11,16,18H,2-9H2,1H3
InChIKeyAQIYZTFUFPSXHZ-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-3-yl]methanol
CID 43752760
2-[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol
CID 61647543
2-[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-2-yl]ethanol
CID 61647544
[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
2-Methyl-2-(propan-2-ylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol
CID 65545622
[5-Methyl-2-(trifluoromethyl)piperidin-3-yl]methanol
CID 83915832
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (CID 83992112) is 3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is CCN1CC(CCCO)CC(NCC(F)(F)F)C1.
What is the InChIKey of 3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is AQIYZTFUFPSXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-2-17-7-10(4-3-5-18)6-11(8-17)16-9-12(13,14)15/h10-11,16,18H,2-9H2,1H3.
What are the key properties of 3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
3-[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, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83992112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).