(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine

C16H19F2N3 — CID 146046104

IUPAC(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine
SMILESCC[C@@H]1C[C@H](n2ccnc2-c2ccc(F)cc2F)CCN1
InChIInChI=1S/C16H19F2N3/c1-2-12-10-13(5-6-19-12)21-8-7-20-16(21)14-4-3-11(17)9-15(14)18/h3-4,7-9,12-13,19H,2,5-6,10H2,1H3/t12-,13-/m1/s1
InChIKeyJYRHSLKWPOASQA-CHWSQXEVSA-N
MW291.34 g/mol
LogP3.53
Rot. Bonds3

About (2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine

(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine (PubChem CID 146046104) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is (2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine.

Molecular Properties

Compound Name(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine
PubChem CID146046104
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC Name(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine
SMILESCC[C@@H]1C[C@H](n2ccnc2-c2ccc(F)cc2F)CCN1
InChIInChI=1S/C16H19F2N3/c1-2-12-10-13(5-6-19-12)21-8-7-20-16(21)14-4-3-11(17)9-15(14)18/h3-4,7-9,12-13,19H,2,5-6,10H2,1H3/t12-,13-/m1/s1
InChIKeyJYRHSLKWPOASQA-CHWSQXEVSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine?
The IUPAC name of (2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine (CID 146046104) is (2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine.
What is the SMILES notation for (2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine?
The canonical SMILES for (2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine is CC[C@@H]1C[C@H](n2ccnc2-c2ccc(F)cc2F)CCN1.
What is the InChIKey of (2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine?
The InChIKey is JYRHSLKWPOASQA-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-2-12-10-13(5-6-19-12)21-8-7-20-16(21)14-4-3-11(17)9-15(14)18/h3-4,7-9,12-13,19H,2,5-6,10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine?
(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine has a molecular weight of 291.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine is sourced from PubChem (CID 146046104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).