[1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol

C15H22F3N3O — CID 131919569

IUPAC[1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCCNc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C15H22F3N3O/c16-15(17,18)13-4-6-20-14(9-13)19-5-2-8-21-7-1-3-12(10-21)11-22/h4,6,9,12,22H,1-3,5,7-8,10-11H2,(H,19,20)
InChIKeyFHKXDAKCMDSIFJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.61
Rot. Bonds6

About [1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol

[1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol (PubChem CID 131919569) has the molecular formula C15H22F3N3O and a molecular weight of 317.35 g/mol. Its IUPAC name is [1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol
PubChem CID131919569
Molecular FormulaC15H22F3N3O
Molecular Weight317.35 g/mol
Exact Mass317.17
IUPAC Name[1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCCNc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C15H22F3N3O/c16-15(17,18)13-4-6-20-14(9-13)19-5-2-8-21-7-1-3-12(10-21)11-22/h4,6,9,12,22H,1-3,5,7-8,10-11H2,(H,19,20)
InChIKeyFHKXDAKCMDSIFJ-UHFFFAOYSA-N
XLogP2.61
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.61
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 [1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol (CID 131919569) is [1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol is OCC1CCCN(CCCNc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of [1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol?
The InChIKey is FHKXDAKCMDSIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c16-15(17,18)13-4-6-20-14(9-13)19-5-2-8-21-7-1-3-12(10-21)11-22/h4,6,9,12,22H,1-3,5,7-8,10-11H2,(H,19,20).
What are the key properties of [1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol?
[1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol has a molecular weight of 317.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol is sourced from PubChem (CID 131919569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).