(2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol

C14H20F3N3O — CID 164631782

IUPAC(2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
SMILESO[C@@H](CNc1cc(C(F)(F)F)ccn1)CN1CCCCC1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)11-4-5-18-13(8-11)19-9-12(21)10-20-6-2-1-3-7-20/h4-5,8,12,21H,1-3,6-7,9-10H2,(H,18,19)/t12-/m0/s1
InChIKeyTZUOLZKKKJCMNZ-LBPRGKRZSA-N
MW303.33 g/mol
LogP2.36
Rot. Bonds5

About (2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol

(2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol (PubChem CID 164631782) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is (2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
PubChem CID164631782
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name(2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
SMILESO[C@@H](CNc1cc(C(F)(F)F)ccn1)CN1CCCCC1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)11-4-5-18-13(8-11)19-9-12(21)10-20-6-2-1-3-7-20/h4-5,8,12,21H,1-3,6-7,9-10H2,(H,18,19)/t12-/m0/s1
InChIKeyTZUOLZKKKJCMNZ-LBPRGKRZSA-N
XLogP2.36
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol (CID 164631782) is (2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol is O[C@@H](CNc1cc(C(F)(F)F)ccn1)CN1CCCCC1.
What is the InChIKey of (2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The InChIKey is TZUOLZKKKJCMNZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)11-4-5-18-13(8-11)19-9-12(21)10-20-6-2-1-3-7-20/h4-5,8,12,21H,1-3,6-7,9-10H2,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
(2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol has a molecular weight of 303.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-piperidin-1-yl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 164631782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).