3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine

C22H21F4N3 — CID 53322648

IUPAC3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine
SMILESFC1CCCN(Cc2cccc(-c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)c2)C1
InChIInChI=1S/C22H21F4N3/c23-19-8-3-9-29(14-19)13-15-4-1-6-17(10-15)21-27-12-20(28-21)16-5-2-7-18(11-16)22(24,25)26/h1-2,4-7,10-12,19H,3,8-9,13-14H2,(H,27,28)
InChIKeyVURDZIDCCAHGMT-UHFFFAOYSA-N
MW403.42 g/mol
LogP5.70
Rot. Bonds4

About 3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine

3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine (PubChem CID 53322648) has the molecular formula C22H21F4N3 and a molecular weight of 403.42 g/mol. Its IUPAC name is 3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine
PubChem CID53322648
Molecular FormulaC22H21F4N3
Molecular Weight403.42 g/mol
Exact Mass403.17
IUPAC Name3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine
SMILESFC1CCCN(Cc2cccc(-c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)c2)C1
InChIInChI=1S/C22H21F4N3/c23-19-8-3-9-29(14-19)13-15-4-1-6-17(10-15)21-27-12-20(28-21)16-5-2-7-18(11-16)22(24,25)26/h1-2,4-7,10-12,19H,3,8-9,13-14H2,(H,27,28)
InChIKeyVURDZIDCCAHGMT-UHFFFAOYSA-N
XLogP5.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.42
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
CID 45180592
2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)
CID 22969457
(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 52878093
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
CID 95630311
1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 3049036
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 57446055

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine?
The IUPAC name of 3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine (CID 53322648) is 3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine.
What is the SMILES notation for 3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine?
The canonical SMILES for 3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine is FC1CCCN(Cc2cccc(-c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)c2)C1.
What is the InChIKey of 3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine?
The InChIKey is VURDZIDCCAHGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3/c23-19-8-3-9-29(14-19)13-15-4-1-6-17(10-15)21-27-12-20(28-21)16-5-2-7-18(11-16)22(24,25)26/h1-2,4-7,10-12,19H,3,8-9,13-14H2,(H,27,28).
What are the key properties of 3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine?
3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine has a molecular weight of 403.42 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine is sourced from PubChem (CID 53322648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).