(3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol

C12H16F3N3O — CID 70710424

IUPAC(3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol
SMILESN[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C[C@H]1O
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-2-1-8(5-17-11)6-18-4-3-9(16)10(19)7-18/h1-2,5,9-10,19H,3-4,6-7,16H2/t9-,10-/m1/s1
InChIKeyLADTYVQRVZJAQQ-NXEZZACHSA-N
MW275.27 g/mol
LogP0.99
Rot. Bonds2

About (3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol

(3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol (PubChem CID 70710424) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol
PubChem CID70710424
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name(3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol
SMILESN[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C[C@H]1O
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-2-1-8(5-17-11)6-18-4-3-9(16)10(19)7-18/h1-2,5,9-10,19H,3-4,6-7,16H2/t9-,10-/m1/s1
InChIKeyLADTYVQRVZJAQQ-NXEZZACHSA-N
XLogP0.99
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol (CID 70710424) is (3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol is N[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol?
The InChIKey is LADTYVQRVZJAQQ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)11-2-1-8(5-17-11)6-18-4-3-9(16)10(19)7-18/h1-2,5,9-10,19H,3-4,6-7,16H2/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol?
(3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol has a molecular weight of 275.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-ol is sourced from PubChem (CID 70710424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).