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

C13H23N3O — CID 62342019

IUPAC2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine
SMILESCc1nccn1CCOCCC1CCCCN1
InChIInChI=1S/C13H23N3O/c1-12-14-7-8-16(12)9-11-17-10-5-13-4-2-3-6-15-13/h7-8,13,15H,2-6,9-11H2,1H3
InChIKeyHZXQFFDETPUQQX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.74
Rot. Bonds6

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

2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine (PubChem CID 62342019) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine
PubChem CID62342019
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine
SMILESCc1nccn1CCOCCC1CCCCN1
InChIInChI=1S/C13H23N3O/c1-12-14-7-8-16(12)9-11-17-10-5-13-4-2-3-6-15-13/h7-8,13,15H,2-6,9-11H2,1H3
InChIKeyHZXQFFDETPUQQX-UHFFFAOYSA-N
XLogP1.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine
CID 62342583
N-methyl-2-(2-methylimidazol-1-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614105
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine
CID 62341420
3-cyclohexyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane
CID 64870713
2-[2-(2-methylimidazol-1-yl)ethoxy]ethanol
CID 61075883
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine
CID 82354042
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
2-(2-octadecoxyethyl)piperidine
CID 140997929
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine (CID 62342019) is 2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine is Cc1nccn1CCOCCC1CCCCN1.
What is the InChIKey of 2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine?
The InChIKey is HZXQFFDETPUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12-14-7-8-16(12)9-11-17-10-5-13-4-2-3-6-15-13/h7-8,13,15H,2-6,9-11H2,1H3.
What are the key properties of 2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine?
2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine has a molecular weight of 237.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine is sourced from PubChem (CID 62342019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).