3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol

C12H18F3N3O — CID 111462340

IUPAC3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol
SMILESOCCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)10-8-16-11(17-10)9-2-5-18(6-3-9)4-1-7-19/h8-9,19H,1-7H2,(H,16,17)
InChIKeyCVFXOKNXCJYETA-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.99
Rot. Bonds4

About 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol

3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol (PubChem CID 111462340) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol
PubChem CID111462340
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol
SMILESOCCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)10-8-16-11(17-10)9-2-5-18(6-3-9)4-1-7-19/h8-9,19H,1-7H2,(H,16,17)
InChIKeyCVFXOKNXCJYETA-UHFFFAOYSA-N
XLogP1.99
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol (CID 111462340) is 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol is OCCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol?
The InChIKey is CVFXOKNXCJYETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c13-12(14,15)10-8-16-11(17-10)9-2-5-18(6-3-9)4-1-7-19/h8-9,19H,1-7H2,(H,16,17).
What are the key properties of 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol?
3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol has a molecular weight of 277.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 111462340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).