1-[3-(1H-imidazol-2-yloxy)propyl]piperidine

C11H19N3O — CID 91011731

IUPAC1-[3-(1H-imidazol-2-yloxy)propyl]piperidine
SMILESc1c[nH]c(OCCCN2CCCCC2)n1
InChIInChI=1S/C11H19N3O/c1-2-7-14(8-3-1)9-4-10-15-11-12-5-6-13-11/h5-6H,1-4,7-10H2,(H,12,13)
InChIKeyQQENFYKNQHPJDG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.66
Rot. Bonds5

About 1-[3-(1H-imidazol-2-yloxy)propyl]piperidine

1-[3-(1H-imidazol-2-yloxy)propyl]piperidine (PubChem CID 91011731) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-2-yloxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(1H-imidazol-2-yloxy)propyl]piperidine
PubChem CID91011731
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[3-(1H-imidazol-2-yloxy)propyl]piperidine
SMILESc1c[nH]c(OCCCN2CCCCC2)n1
InChIInChI=1S/C11H19N3O/c1-2-7-14(8-3-1)9-4-10-15-11-12-5-6-13-11/h5-6H,1-4,7-10H2,(H,12,13)
InChIKeyQQENFYKNQHPJDG-UHFFFAOYSA-N
XLogP1.66
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine
CID 106572055
formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 157155381
ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine
CID 155587886
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide
CID 177365400
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
1-(1H-imidazol-2-yl)-2-piperidin-1-ylethanone
CID 126736798
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-2-yloxy)propyl]piperidine?
The IUPAC name of 1-[3-(1H-imidazol-2-yloxy)propyl]piperidine (CID 91011731) is 1-[3-(1H-imidazol-2-yloxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(1H-imidazol-2-yloxy)propyl]piperidine?
The canonical SMILES for 1-[3-(1H-imidazol-2-yloxy)propyl]piperidine is c1c[nH]c(OCCCN2CCCCC2)n1.
What is the InChIKey of 1-[3-(1H-imidazol-2-yloxy)propyl]piperidine?
The InChIKey is QQENFYKNQHPJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-7-14(8-3-1)9-4-10-15-11-12-5-6-13-11/h5-6H,1-4,7-10H2,(H,12,13).
What are the key properties of 1-[3-(1H-imidazol-2-yloxy)propyl]piperidine?
1-[3-(1H-imidazol-2-yloxy)propyl]piperidine has a molecular weight of 209.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-2-yloxy)propyl]piperidine is sourced from PubChem (CID 91011731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).