(2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride

C20H27Cl2N3O2 — CID 154922547

IUPAC(2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride
SMILESCC[C@H]1C[C@H](n2ccnc2C2=Cc3cc(OC)ccc3OC2)CCN1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-3-16-12-17(6-7-21-16)23-9-8-22-20(23)15-10-14-11-18(24-2)4-5-19(14)25-13-15;;/h4-5,8-11,16-17,21H,3,6-7,12-13H2,1-2H3;2*1H/t16-,17+;;/m0../s1
InChIKeyLEBLODVZPFRSAC-UXHRTOHASA-N
MW412.36 g/mol
LogP4.37
Rot. Bonds4

About (2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride

(2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride (PubChem CID 154922547) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is (2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride.

Molecular Properties

Compound Name(2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride
PubChem CID154922547
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name(2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride
SMILESCC[C@H]1C[C@H](n2ccnc2C2=Cc3cc(OC)ccc3OC2)CCN1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-3-16-12-17(6-7-21-16)23-9-8-22-20(23)15-10-14-11-18(24-2)4-5-19(14)25-13-15;;/h4-5,8-11,16-17,21H,3,6-7,12-13H2,1-2H3;2*1H/t16-,17+;;/m0../s1
InChIKeyLEBLODVZPFRSAC-UXHRTOHASA-N
XLogP4.37
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine
CID 154817045
4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
CID 166619622
(2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine
CID 146039198
(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine
CID 146046104
(2R,4R)-2-ethyl-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
CID 154567649
acetic acid;N-ethyl-N-[[5-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methoxyphenyl]methyl]ethanamine
CID 163333561
(2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine
CID 154566736
3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine
CID 154565849
4-[2-[1-[(2R,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methylpropyl]morpholine;dihydrochloride
CID 154919932
(R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 99932443
6-methoxy-N-piperidin-4-yl-N-propyl-2H-chromene-3-carboxamide;hydrochloride
CID 119824120
3-(4-ethoxyphenyl)-7-methoxy-2H-chromene
CID 54751719

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride?
The IUPAC name of (2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride (CID 154922547) is (2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride.
What is the SMILES notation for (2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride?
The canonical SMILES for (2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride is CC[C@H]1C[C@H](n2ccnc2C2=Cc3cc(OC)ccc3OC2)CCN1.Cl.Cl.
What is the InChIKey of (2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride?
The InChIKey is LEBLODVZPFRSAC-UXHRTOHASA-N. The full InChI is InChI=1S/C20H25N3O2.2ClH/c1-3-16-12-17(6-7-21-16)23-9-8-22-20(23)15-10-14-11-18(24-2)4-5-19(14)25-13-15;;/h4-5,8-11,16-17,21H,3,6-7,12-13H2,1-2H3;2*1H/t16-,17+;;/m0../s1.
What are the key properties of (2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride?
(2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride has a molecular weight of 412.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-ethyl-4-[2-(6-methoxy-2H-chromen-3-yl)imidazol-1-yl]piperidine;dihydrochloride is sourced from PubChem (CID 154922547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).