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

C11H16F3N3O — CID 165400995

IUPAC[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol
SMILESCn1cc(C(F)(F)F)nc1N1CCC(CO)CC1
InChIInChI=1S/C11H16F3N3O/c1-16-6-9(11(12,13)14)15-10(16)17-4-2-8(7-18)3-5-17/h6,8,18H,2-5,7H2,1H3
InChIKeyWXMULHKEACCFIV-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.65
Rot. Bonds2

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

[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol (PubChem CID 165400995) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol
PubChem CID165400995
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol
SMILESCn1cc(C(F)(F)F)nc1N1CCC(CO)CC1
InChIInChI=1S/C11H16F3N3O/c1-16-6-9(11(12,13)14)15-10(16)17-4-2-8(7-18)3-5-17/h6,8,18H,2-5,7H2,1H3
InChIKeyWXMULHKEACCFIV-UHFFFAOYSA-N
XLogP1.65
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol (CID 165400995) is [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol is Cn1cc(C(F)(F)F)nc1N1CCC(CO)CC1.
What is the InChIKey of [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol?
The InChIKey is WXMULHKEACCFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-16-6-9(11(12,13)14)15-10(16)17-4-2-8(7-18)3-5-17/h6,8,18H,2-5,7H2,1H3.
What are the key properties of [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol?
[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol has a molecular weight of 263.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 165400995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).