(2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride

C16H21Cl4N3 — CID 154923336

IUPAC(2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride
SMILESCC[C@@H]1C[C@H](n2ccnc2-c2c(Cl)cccc2Cl)CCN1.Cl.Cl
InChIInChI=1S/C16H19Cl2N3.2ClH/c1-2-11-10-12(6-7-19-11)21-9-8-20-16(21)15-13(17)4-3-5-14(15)18;;/h3-5,8-9,11-12,19H,2,6-7,10H2,1H3;2*1H/t11-,12-;;/m1../s1
InChIKeyYMEIDKBWLFVCAN-MBORUXJMSA-N
MW397.18 g/mol
LogP5.40
Rot. Bonds3

About (2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride

(2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride (PubChem CID 154923336) has the molecular formula C16H21Cl4N3 and a molecular weight of 397.18 g/mol. Its IUPAC name is (2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride.

Molecular Properties

Compound Name(2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride
PubChem CID154923336
Molecular FormulaC16H21Cl4N3
Molecular Weight397.18 g/mol
Exact Mass395.05
IUPAC Name(2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride
SMILESCC[C@@H]1C[C@H](n2ccnc2-c2c(Cl)cccc2Cl)CCN1.Cl.Cl
InChIInChI=1S/C16H19Cl2N3.2ClH/c1-2-11-10-12(6-7-19-11)21-9-8-20-16(21)15-13(17)4-3-5-14(15)18;;/h3-5,8-9,11-12,19H,2,6-7,10H2,1H3;2*1H/t11-,12-;;/m1../s1
InChIKeyYMEIDKBWLFVCAN-MBORUXJMSA-N
XLogP5.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.18
LogP ≤ 55.40
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-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride?
The IUPAC name of (2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride (CID 154923336) is (2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride.
What is the SMILES notation for (2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride?
The canonical SMILES for (2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride is CC[C@@H]1C[C@H](n2ccnc2-c2c(Cl)cccc2Cl)CCN1.Cl.Cl.
What is the InChIKey of (2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride?
The InChIKey is YMEIDKBWLFVCAN-MBORUXJMSA-N. The full InChI is InChI=1S/C16H19Cl2N3.2ClH/c1-2-11-10-12(6-7-19-11)21-9-8-20-16(21)15-13(17)4-3-5-14(15)18;;/h3-5,8-9,11-12,19H,2,6-7,10H2,1H3;2*1H/t11-,12-;;/m1../s1.
What are the key properties of (2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride?
(2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride has a molecular weight of 397.18 g/mol, XLogP of 5.40, 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-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride is sourced from PubChem (CID 154923336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).