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

C14H16F3N5O — CID 124884129

IUPAC(S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESO[C@H](c1ncc[nH]1)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)10-1-4-20-13(21-10)22-7-2-9(3-8-22)11(23)12-18-5-6-19-12/h1,4-6,9,11,23H,2-3,7-8H2,(H,18,19)/t11-/m0/s1
InChIKeyWVQXICDIXPHFTB-NSHDSACASA-N
MW327.31 g/mol
LogP2.17
Rot. Bonds3

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

(S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 124884129) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is (S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID124884129
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name(S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESO[C@H](c1ncc[nH]1)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)10-1-4-20-13(21-10)22-7-2-9(3-8-22)11(23)12-18-5-6-19-12/h1,4-6,9,11,23H,2-3,7-8H2,(H,18,19)/t11-/m0/s1
InChIKeyWVQXICDIXPHFTB-NSHDSACASA-N
XLogP2.17
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of (S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol (CID 124884129) is (S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for (S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for (S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol is O[C@H](c1ncc[nH]1)C1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of (S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is WVQXICDIXPHFTB-NSHDSACASA-N. The full InChI is InChI=1S/C14H16F3N5O/c15-14(16,17)10-1-4-20-13(21-10)22-7-2-9(3-8-22)11(23)12-18-5-6-19-12/h1,4-6,9,11,23H,2-3,7-8H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol?
(S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 327.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 124884129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).