2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine

C16H25N5 — CID 70711544

IUPAC2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine
SMILESCn1ccnc1CCC1CCCCN1Cc1nccn1C
InChIInChI=1S/C16H25N5/c1-19-11-8-17-15(19)7-6-14-5-3-4-10-21(14)13-16-18-9-12-20(16)2/h8-9,11-12,14H,3-7,10,13H2,1-2H3
InChIKeyFBPHBVLXTYYQKI-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.14
Rot. Bonds5

About 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine

2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine (PubChem CID 70711544) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine
PubChem CID70711544
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine
SMILESCn1ccnc1CCC1CCCCN1Cc1nccn1C
InChIInChI=1S/C16H25N5/c1-19-11-8-17-15(19)7-6-14-5-3-4-10-21(14)13-16-18-9-12-20(16)2/h8-9,11-12,14H,3-7,10,13H2,1-2H3
InChIKeyFBPHBVLXTYYQKI-UHFFFAOYSA-N
XLogP2.14
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Didecyl-2-methyl-1H-imidazolium chloride
CID 2775940
1-Propyl-3-[12-(3-propylimidazol-3-ium-1-yl)dodecyl]imidazol-1-ium diiodide
CID 46186430
1,1'-Hexane-1,6-diylbis(1H-imidazole)
CID 16122577
1-Methyl-3-[16-(3-methylimidazol-3-ium-1-yl)hexadecyl]imidazol-1-ium diiodide
CID 57396687
1-Methyl-3-[18-(3-methylimidazol-3-ium-1-yl)octadecyl]imidazol-1-ium diiodide
CID 57403653
1-Methyl-3-[12-(3-methylimidazol-3-ium-1-yl)dodecyl]imidazol-1-ium diiodide
CID 46185648
1-Methyl-3-[10-(3-methylimidazol-3-ium-1-yl)decyl]imidazol-1-ium diiodide
CID 46185650
1-Ethyl-3-[12-(3-ethylimidazol-1-ium-1-yl)dodecyl]imidazol-3-ium diiodide
CID 46185913
1-Methyl-3-[15-(3-methylimidazol-3-ium-1-yl)pentadecyl]imidazol-1-ium diiodide
CID 46186173
1-Methyl-3-[14-(3-methylimidazol-3-ium-1-yl)tetradecyl]imidazol-1-ium diiodide
CID 46186176
1-Methyl-3-[13-(3-methylimidazol-3-ium-1-yl)tridecyl]imidazol-1-ium diiodide
CID 46186178
1-Methyl-3-[11-(3-methylimidazol-3-ium-1-yl)undecyl]imidazol-1-ium diiodide
CID 46186428

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine (CID 70711544) is 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine is Cn1ccnc1CCC1CCCCN1Cc1nccn1C.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine?
The InChIKey is FBPHBVLXTYYQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-19-11-8-17-15(19)7-6-14-5-3-4-10-21(14)13-16-18-9-12-20(16)2/h8-9,11-12,14H,3-7,10,13H2,1-2H3.
What are the key properties of 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine?
2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine has a molecular weight of 287.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 70711544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).