2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol

C14H20F3N3O — CID 107227096

IUPAC2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol
SMILESNCc1ccc(C(F)(F)F)nc1N1CCCC(CCO)C1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)12-4-3-11(8-18)13(19-12)20-6-1-2-10(9-20)5-7-21/h3-4,10,21H,1-2,5-9,18H2
InChIKeySBFNUIPBLAYJRY-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.16
Rot. Bonds4

About 2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol

2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol (PubChem CID 107227096) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol
PubChem CID107227096
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol
SMILESNCc1ccc(C(F)(F)F)nc1N1CCCC(CCO)C1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)12-4-3-11(8-18)13(19-12)20-6-1-2-10(9-20)5-7-21/h3-4,10,21H,1-2,5-9,18H2
InChIKeySBFNUIPBLAYJRY-UHFFFAOYSA-N
XLogP2.16
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227083
2-[1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227070
[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103530731
2-[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]ethanol
CID 107227067
[2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873373
[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869055
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227098
2-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-3-yl]ethanol
CID 107228114
2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107226950
2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol
CID 107227097
2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228577

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol (CID 107227096) is 2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol is NCc1ccc(C(F)(F)F)nc1N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
The InChIKey is SBFNUIPBLAYJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)12-4-3-11(8-18)13(19-12)20-6-1-2-10(9-20)5-7-21/h3-4,10,21H,1-2,5-9,18H2.
What are the key properties of 2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol has a molecular weight of 303.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107227096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).