(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine

C15H17F2N3 — CID 146044197

IUPAC(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine
SMILESC[C@@H]1CNCC[C@@H]1n1ccnc1-c1c(F)cccc1F
InChIInChI=1S/C15H17F2N3/c1-10-9-18-6-5-13(10)20-8-7-19-15(20)14-11(16)3-2-4-12(14)17/h2-4,7-8,10,13,18H,5-6,9H2,1H3/t10-,13+/m1/s1
InChIKeyVOBVNFBQQCALQJ-MFKMUULPSA-N
MW277.32 g/mol
LogP3.00
Rot. Bonds2

About (3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine

(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine (PubChem CID 146044197) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine
PubChem CID146044197
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine
SMILESC[C@@H]1CNCC[C@@H]1n1ccnc1-c1c(F)cccc1F
InChIInChI=1S/C15H17F2N3/c1-10-9-18-6-5-13(10)20-8-7-19-15(20)14-11(16)3-2-4-12(14)17/h2-4,7-8,10,13,18H,5-6,9H2,1H3/t10-,13+/m1/s1
InChIKeyVOBVNFBQQCALQJ-MFKMUULPSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride
CID 154920497
(3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol
CID 154821312
(3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol
CID 154564535
1-(3-methylpiperidin-4-yl)indole
CID 69270598
trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
CID 156585247
(3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol
CID 154818382
4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine
CID 82559295
(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154823350
4-[2-(4-bromophenyl)imidazol-1-yl]piperidine
CID 82559669
4-[2-(3-bromophenyl)imidazol-1-yl]piperidine
CID 82559766
formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
CID 163338029
(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154817273

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine?
The IUPAC name of (3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine (CID 146044197) is (3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine.
What is the SMILES notation for (3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine?
The canonical SMILES for (3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine is C[C@@H]1CNCC[C@@H]1n1ccnc1-c1c(F)cccc1F.
What is the InChIKey of (3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine?
The InChIKey is VOBVNFBQQCALQJ-MFKMUULPSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-10-9-18-6-5-13(10)20-8-7-19-15(20)14-11(16)3-2-4-12(14)17/h2-4,7-8,10,13,18H,5-6,9H2,1H3/t10-,13+/m1/s1.
What are the key properties of (3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine?
(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine has a molecular weight of 277.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine is sourced from PubChem (CID 146044197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).