[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol

C10H14F3N3O — CID 170707652

IUPAC[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-5-14-9(15-8)16-3-1-7(6-17)2-4-16/h5,7,17H,1-4,6H2,(H,14,15)
InChIKeySIRBATQCDONBRR-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.64
Rot. Bonds2

About [1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol

[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol (PubChem CID 170707652) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is [1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol
PubChem CID170707652
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-5-14-9(15-8)16-3-1-7(6-17)2-4-16/h5,7,17H,1-4,6H2,(H,14,15)
InChIKeySIRBATQCDONBRR-UHFFFAOYSA-N
XLogP1.64
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol (CID 170707652) is [1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of [1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol?
The InChIKey is SIRBATQCDONBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)8-5-14-9(15-8)16-3-1-7(6-17)2-4-16/h5,7,17H,1-4,6H2,(H,14,15).
What are the key properties of [1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol?
[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol has a molecular weight of 249.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 170707652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).