(3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol

C22H22F3N3O — CID 53320272

IUPAC(3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2cccc(-c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)c2)C1
InChIInChI=1S/C22H22F3N3O/c23-22(24,25)18-7-2-5-16(11-18)20-12-26-21(27-20)17-6-1-4-15(10-17)13-28-9-3-8-19(29)14-28/h1-2,4-7,10-12,19,29H,3,8-9,13-14H2,(H,26,27)/t19-/m0/s1
InChIKeyAJRONSKIPUPVLN-IBGZPJMESA-N
MW401.43 g/mol
LogP4.72
Rot. Bonds4

About (3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol

(3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol (PubChem CID 53320272) has the molecular formula C22H22F3N3O and a molecular weight of 401.43 g/mol. Its IUPAC name is (3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol
PubChem CID53320272
Molecular FormulaC22H22F3N3O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Name(3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2cccc(-c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)c2)C1
InChIInChI=1S/C22H22F3N3O/c23-22(24,25)18-7-2-5-16(11-18)20-12-26-21(27-20)17-6-1-4-15(10-17)13-28-9-3-8-19(29)14-28/h1-2,4-7,10-12,19,29H,3,8-9,13-14H2,(H,26,27)/t19-/m0/s1
InChIKeyAJRONSKIPUPVLN-IBGZPJMESA-N
XLogP4.72
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol (CID 53320272) is (3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol is O[C@H]1CCCN(Cc2cccc(-c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)c2)C1.
What is the InChIKey of (3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol?
The InChIKey is AJRONSKIPUPVLN-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22F3N3O/c23-22(24,25)18-7-2-5-16(11-18)20-12-26-21(27-20)17-6-1-4-15(10-17)13-28-9-3-8-19(29)14-28/h1-2,4-7,10-12,19,29H,3,8-9,13-14H2,(H,26,27)/t19-/m0/s1.
What are the key properties of (3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol?
(3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol has a molecular weight of 401.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 53320272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).