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

C11H16F3N3O — CID 136563831

IUPAC[1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol
SMILESOCC1(C(F)(F)F)CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10(8-18)1-5-17(6-2-10)7-9-15-3-4-16-9/h3-4,18H,1-2,5-8H2,(H,15,16)
InChIKeyFBFZOVNARBRQEA-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.55
Rot. Bonds3

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

[1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol (PubChem CID 136563831) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is [1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol
PubChem CID136563831
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name[1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol
SMILESOCC1(C(F)(F)F)CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10(8-18)1-5-17(6-2-10)7-9-15-3-4-16-9/h3-4,18H,1-2,5-8H2,(H,15,16)
InChIKeyFBFZOVNARBRQEA-UHFFFAOYSA-N
XLogP1.55
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1H-imidazol-2-yl)(piperidin-4-yl)methanol
CID 75488621
1-[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787475
(4S*)-1-(1H-imidazol-2-ylmethyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
CID 72865391
9-(1H-Imidazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 74247280
4-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 140983445
4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;2,2,2-trifluoroacetic acid
CID 175098257
1-[4-[[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53554421
[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanol
CID 55028950
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
CID 55226430
2-[4-[[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol
CID 56779829
2-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol
CID 62355774
5,5,5-trifluoro-1-(1H-imidazol-2-yl)pentan-2-ol
CID 65715825

Frequently Asked Questions

What is the IUPAC name of [1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol (CID 136563831) is [1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol is OCC1(C(F)(F)F)CCN(Cc2ncc[nH]2)CC1.
What is the InChIKey of [1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol?
The InChIKey is FBFZOVNARBRQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)10(8-18)1-5-17(6-2-10)7-9-15-3-4-16-9/h3-4,18H,1-2,5-8H2,(H,15,16).
What are the key properties of [1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol?
[1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol has a molecular weight of 263.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 136563831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).