1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

C11H16F3N3O — CID 113339909

IUPAC1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCn1cncc1CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O/c1-16-8-15-6-9(16)7-17-4-2-10(18,3-5-17)11(12,13)14/h6,8,18H,2-5,7H2,1H3
InChIKeyJMRVVKXKUXUJNA-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.31
Rot. Bonds2

About 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 113339909) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID113339909
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCn1cncc1CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O/c1-16-8-15-6-9(16)7-17-4-2-10(18,3-5-17)11(12,13)14/h6,8,18H,2-5,7H2,1H3
InChIKeyJMRVVKXKUXUJNA-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 113339909) is 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is Cn1cncc1CN1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is JMRVVKXKUXUJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-16-8-15-6-9(16)7-17-4-2-10(18,3-5-17)11(12,13)14/h6,8,18H,2-5,7H2,1H3.
What are the key properties of 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 263.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 113339909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).