1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol

C11H21F3N2O — CID 113260466

IUPAC1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)(F)F)C1CCN(C)CC1
InChIInChI=1S/C11H21F3N2O/c1-8(9-3-5-16(2)6-4-9)15-7-10(17)11(12,13)14/h8-10,15,17H,3-7H2,1-2H3
InChIKeyBJXNIEZSURIHMI-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds4

About 1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol (PubChem CID 113260466) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol
PubChem CID113260466
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)(F)F)C1CCN(C)CC1
InChIInChI=1S/C11H21F3N2O/c1-8(9-3-5-16(2)6-4-9)15-7-10(17)11(12,13)14/h8-10,15,17H,3-7H2,1-2H3
InChIKeyBJXNIEZSURIHMI-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol
CID 66092706
2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile
CID 62648155
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol
CID 66169642
tert-butyl (3R)-3-[(1S)-1-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]piperidine-1-carboxylate
CID 124677669
1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 79351441
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993042
1-(1-methylpiperidin-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63828546
N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
CID 59870766
3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
CID 115755879
3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol
CID 103740416

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol (CID 113260466) is 1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol is CC(NCC(O)C(F)(F)F)C1CCN(C)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol?
The InChIKey is BJXNIEZSURIHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(9-3-5-16(2)6-4-9)15-7-10(17)11(12,13)14/h8-10,15,17H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.23, 4 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-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 113260466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).