(1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol

C15H18F3N5O — CID 133395928

IUPAC(1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H18F3N5O/c1-22-9-6-19-13(22)12(24)10-3-7-23(8-4-10)14-20-5-2-11(21-14)15(16,17)18/h2,5-6,9-10,12,24H,3-4,7-8H2,1H3
InChIKeyHTBCBCGJYHCXGF-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.18
Rot. Bonds3

About (1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 133395928) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID133395928
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name(1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H18F3N5O/c1-22-9-6-19-13(22)12(24)10-3-7-23(8-4-10)14-20-5-2-11(21-14)15(16,17)18/h2,5-6,9-10,12,24H,3-4,7-8H2,1H3
InChIKeyHTBCBCGJYHCXGF-UHFFFAOYSA-N
XLogP2.18
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-{methyl[(1-methyl-1H-imidazol-2-yl)methyl]amino}pyrimidin-4-yl)piperidin-3-ol
CID 50979500
2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-4-(trifluoromethyl)pyrimidine
CID 70706800
1-[(2-Isopropylpyrimidin-4-YL)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-OL
CID 70712049
2-[4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-(trifluoromethyl)pyrimidine
CID 72871667
[1-({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28641538
1-[4-[[Methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 53616828
(1-methyl-1H-imidazol-2-yl){1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl}methanol
CID 56864248
4-(1H-imidazol-1-ylmethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
CID 56876835
4-(1H-imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol
CID 72881121
(3S*,4R*)-4-(hydroxymethyl)-1-[(2-isopropyl-4-pyrimidinyl)methyl]-3-piperidinol
CID 133131543
1-(2-Methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol
CID 138008358
(2R,3R,4R,5S)-2-methyl-1-[[(3R)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286702

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol (CID 133395928) is (1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol is Cn1ccnc1C(O)C1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is HTBCBCGJYHCXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-22-9-6-19-13(22)12(24)10-3-7-23(8-4-10)14-20-5-2-11(21-14)15(16,17)18/h2,5-6,9-10,12,24H,3-4,7-8H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 341.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 133395928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).