(2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine

C16H20FN3O — CID 146039198

IUPAC(2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine
SMILESCOc1ccc(F)c(-c2nccn2[C@@H]2CCN[C@H](C)C2)c1
InChIInChI=1S/C16H20FN3O/c1-11-9-12(5-6-18-11)20-8-7-19-16(20)14-10-13(21-2)3-4-15(14)17/h3-4,7-8,10-12,18H,5-6,9H2,1-2H3/t11-,12-/m1/s1
InChIKeyDILPIDDSQLYVAL-VXGBXAGGSA-N
MW289.35 g/mol
LogP3.01
Rot. Bonds3

About (2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine

(2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine (PubChem CID 146039198) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine.

Molecular Properties

Compound Name(2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine
PubChem CID146039198
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine
SMILESCOc1ccc(F)c(-c2nccn2[C@@H]2CCN[C@H](C)C2)c1
InChIInChI=1S/C16H20FN3O/c1-11-9-12(5-6-18-11)20-8-7-19-16(20)14-10-13(21-2)3-4-15(14)17/h3-4,7-8,10-12,18H,5-6,9H2,1-2H3/t11-,12-/m1/s1
InChIKeyDILPIDDSQLYVAL-VXGBXAGGSA-N
XLogP3.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride
CID 154920497
(2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine
CID 154817045
2-[(3S,7R,8aS)-7-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]ethanol
CID 155492200
(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine
CID 146046104
cis-(1R,3S)-3-[[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]methyl]cyclohexan-1-amine
CID 154567236
(2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride
CID 154922547
2-[(3S,7R,8aS)-7-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]ethanol;formic acid
CID 155940942
2-[(3S,7R,8aS)-7-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]-N,N-dimethylacetamide
CID 155495136
4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine
CID 82559295
1-[(3S,4S)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide;formic acid
CID 166598476
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
(2R)-2-(2-fluoro-5-methoxyphenyl)azetidine;hydrochloride
CID 171197365

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine?
The IUPAC name of (2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine (CID 146039198) is (2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine.
What is the SMILES notation for (2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine?
The canonical SMILES for (2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine is COc1ccc(F)c(-c2nccn2[C@@H]2CCN[C@H](C)C2)c1.
What is the InChIKey of (2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine?
The InChIKey is DILPIDDSQLYVAL-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11-9-12(5-6-18-11)20-8-7-19-16(20)14-10-13(21-2)3-4-15(14)17/h3-4,7-8,10-12,18H,5-6,9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine?
(2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine has a molecular weight of 289.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine is sourced from PubChem (CID 146039198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).