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

C14H27F3N2O — CID 83992434

IUPAC3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCC(C)N1CC(CCCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-3-11(2)19-8-12(5-4-6-20)7-13(9-19)18-10-14(15,16)17/h11-13,18,20H,3-10H2,1-2H3
InChIKeyIVLVZYAYALVTQN-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.40
Rot. Bonds7

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

3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83992434) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
PubChem CID83992434
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCC(C)N1CC(CCCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-3-11(2)19-8-12(5-4-6-20)7-13(9-19)18-10-14(15,16)17/h11-13,18,20H,3-10H2,1-2H3
InChIKeyIVLVZYAYALVTQN-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
CID 83995891
3-[1-(1-cyclopropylethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990589
2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992175
1-butan-2-yl-N-cyclopropyl-5-propylpiperidin-3-amine
CID 83991740
2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992214
2-(5-amino-1-butan-2-ylpiperidin-3-yl)ethanol
CID 83989238
1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83993131
3-[5-(cyclobutylmethylamino)-1-(1-cyclopropylethyl)piperidin-3-yl]propan-1-ol
CID 83997394
1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine
CID 83995888
N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide
CID 112541751
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340

Frequently Asked Questions

What is the IUPAC name of 3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (CID 83992434) is 3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is CCC(C)N1CC(CCCO)CC(NCC(F)(F)F)C1.
What is the InChIKey of 3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is IVLVZYAYALVTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-11(2)19-8-12(5-4-6-20)7-13(9-19)18-10-14(15,16)17/h11-13,18,20H,3-10H2,1-2H3.
What are the key properties of 3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol has a molecular weight of 296.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83992434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).