1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol

C11H21F3N2O — CID 63899437

IUPAC1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol
SMILESCCCN1CCC(NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-2-5-16-6-3-9(4-7-16)15-8-10(17)11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeySLLLCZQWTIYEOR-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds5

About 1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 63899437) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol
PubChem CID63899437
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol
SMILESCCCN1CCC(NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-2-5-16-6-3-9(4-7-16)15-8-10(17)11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeySLLLCZQWTIYEOR-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Cyclohexylamino)-1,1,1-trifluoropropan-2-ol
CID 3454746
2-[(1-Methylpiperidin-4-yl)amino]ethan-1-ol
CID 3154447
2-(Methyl(piperidin-4-yl)amino)ethan-1-ol
CID 28064309
2-[(1-Methylpiperidin-4-yl)amino]propan-1-ol
CID 43499738
1-(Piperidin-4-yl)azetidin-3-ol
CID 52988114
1-[Methyl(piperidin-4-yl)amino]propan-2-ol
CID 60886866
1-Amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol
CID 116991251
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol
CID 118303404
1-[4-(3-Amino-5-fluoropiperidin-4-yl)piperazin-1-yl]propan-2-ol
CID 123287981
1-(4,4-Difluoro-1-piperidin-4-ylpyrrolidin-2-yl)ethanol
CID 124000499
2-[(1-Methylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 126549520

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol (CID 63899437) is 1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol is CCCN1CCC(NCC(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is SLLLCZQWTIYEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-5-16-6-3-9(4-7-16)15-8-10(17)11(12,13)14/h9-10,15,17H,2-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 63899437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).