3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

C11H21F3N2O — CID 63899271

IUPAC3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCNCC1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-2-15-6-9-4-3-5-16(7-9)8-10(17)11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyDJXZYEDOXFUQEL-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds5

About 3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 63899271) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID63899271
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCNCC1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-2-15-6-9-4-3-5-16(7-9)8-10(17)11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyDJXZYEDOXFUQEL-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3161650
1-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779871
1-(Ethylamino)-3-(4-methyl-1-piperidinyl)-2-propanol
CID 2836730
2-[3-(Aminomethyl)piperidin-1-yl]ethanol
CID 6484147
1-Amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol
CID 116991251
2-(3-{[Methyl(3,3,3-trifluoropropyl)amino]methyl}piperidin-1-YL)ethanol
CID 56709394
(2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99784563
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
1-Piperidin-1-yl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 121515899
(1S)-1-(2,2-difluoropropylamino)-3-[(3S)-3-methylpiperidin-1-yl]propan-1-ol
CID 144185224
(3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol
CID 167458357
3-Piperidinol, 4,4-difluoro-5-methyl-, (3R,5S)-rel-
CID 167458454

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 63899271) is 3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is CCNCC1CCCN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is DJXZYEDOXFUQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-15-6-9-4-3-5-16(7-9)8-10(17)11(12,13)14/h9-10,15,17H,2-8H2,1H3.
What are the key properties of 3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylaminomethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).