[1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol

C17H23F3N4O — CID 135265790

IUPAC[1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol
SMILESCC1C=C(N2CCC(CO)CC2)N=CC1c1nc(C(F)(F)F)cn1C
InChIInChI=1S/C17H23F3N4O/c1-11-7-15(24-5-3-12(10-25)4-6-24)21-8-13(11)16-22-14(9-23(16)2)17(18,19)20/h7-9,11-13,25H,3-6,10H2,1-2H3
InChIKeyUYXCCRVSJNRVFF-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.79
Rot. Bonds3

About [1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol

[1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol (PubChem CID 135265790) has the molecular formula C17H23F3N4O and a molecular weight of 356.39 g/mol. Its IUPAC name is [1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol
PubChem CID135265790
Molecular FormulaC17H23F3N4O
Molecular Weight356.39 g/mol
Exact Mass356.18
IUPAC Name[1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol
SMILESCC1C=C(N2CCC(CO)CC2)N=CC1c1nc(C(F)(F)F)cn1C
InChIInChI=1S/C17H23F3N4O/c1-11-7-15(24-5-3-12(10-25)4-6-24)21-8-13(11)16-22-14(9-23(16)2)17(18,19)20/h7-9,11-13,25H,3-6,10H2,1-2H3
InChIKeyUYXCCRVSJNRVFF-UHFFFAOYSA-N
XLogP2.79
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol (CID 135265790) is [1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol is CC1C=C(N2CCC(CO)CC2)N=CC1c1nc(C(F)(F)F)cn1C.
What is the InChIKey of [1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol?
The InChIKey is UYXCCRVSJNRVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O/c1-11-7-15(24-5-3-12(10-25)4-6-24)21-8-13(11)16-22-14(9-23(16)2)17(18,19)20/h7-9,11-13,25H,3-6,10H2,1-2H3.
What are the key properties of [1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol?
[1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol has a molecular weight of 356.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 135265790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).