2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine

C12H21N3 — CID 106780433

IUPAC2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine
SMILESCCn1ccnc1CC1CCCC(C)N1
InChIInChI=1S/C12H21N3/c1-3-15-8-7-13-12(15)9-11-6-4-5-10(2)14-11/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyQYAINQHOJYBOKE-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.98
Rot. Bonds3

About 2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine

2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine (PubChem CID 106780433) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine
PubChem CID106780433
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine
SMILESCCn1ccnc1CC1CCCC(C)N1
InChIInChI=1S/C12H21N3/c1-3-15-8-7-13-12(15)9-11-6-4-5-10(2)14-11/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyQYAINQHOJYBOKE-UHFFFAOYSA-N
XLogP1.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 106781510
2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 79762054
2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
CID 106780431
2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955897
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine
CID 114510622
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010089
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780430

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine (CID 106780433) is 2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine is CCn1ccnc1CC1CCCC(C)N1.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine?
The InChIKey is QYAINQHOJYBOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-15-8-7-13-12(15)9-11-6-4-5-10(2)14-11/h7-8,10-11,14H,3-6,9H2,1-2H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine?
2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine has a molecular weight of 207.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine is sourced from PubChem (CID 106780433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).