(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol

C14H20F3N3O — CID 171359887

IUPAC(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN(CCCNc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)12-5-1-6-13(19-12)18-7-3-9-20-8-2-4-11(21)10-20/h1,5-6,11,21H,2-4,7-10H2,(H,18,19)/t11-/m0/s1
InChIKeyBHIADOHXJSJSHC-NSHDSACASA-N
MW303.33 g/mol
LogP2.36
Rot. Bonds5

About (3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol

(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol (PubChem CID 171359887) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is (3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol
PubChem CID171359887
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN(CCCNc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)12-5-1-6-13(19-12)18-7-3-9-20-8-2-4-11(21)10-20/h1,5-6,11,21H,2-4,7-10H2,(H,18,19)/t11-/m0/s1
InChIKeyBHIADOHXJSJSHC-NSHDSACASA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol (CID 171359887) is (3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol is O[C@H]1CCCN(CCCNc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of (3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol?
The InChIKey is BHIADOHXJSJSHC-NSHDSACASA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)12-5-1-6-13(19-12)18-7-3-9-20-8-2-4-11(21)10-20/h1,5-6,11,21H,2-4,7-10H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol?
(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-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 (3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol is sourced from PubChem (CID 171359887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).