4-(2-imidazol-1-ylethyl)piperidine

C10H17N3 — CID 13281183

IUPAC4-(2-imidazol-1-ylethyl)piperidine
SMILESc1cn(CCC2CCNCC2)cn1
InChIInChI=1S/C10H17N3/c1-4-11-5-2-10(1)3-7-13-8-6-12-9-13/h6,8-11H,1-5,7H2
InChIKeyPPIJGGILSYOSSI-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.27
Rot. Bonds3

About 4-(2-imidazol-1-ylethyl)piperidine

4-(2-imidazol-1-ylethyl)piperidine (PubChem CID 13281183) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-(2-imidazol-1-ylethyl)piperidine.

Molecular Properties

Compound Name4-(2-imidazol-1-ylethyl)piperidine
PubChem CID13281183
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-(2-imidazol-1-ylethyl)piperidine
SMILESc1cn(CCC2CCNCC2)cn1
InChIInChI=1S/C10H17N3/c1-4-11-5-2-10(1)3-7-13-8-6-12-9-13/h6,8-11H,1-5,7H2
InChIKeyPPIJGGILSYOSSI-UHFFFAOYSA-N
XLogP1.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazol-1-ylethyl)piperidine?
The IUPAC name of 4-(2-imidazol-1-ylethyl)piperidine (CID 13281183) is 4-(2-imidazol-1-ylethyl)piperidine.
What is the SMILES notation for 4-(2-imidazol-1-ylethyl)piperidine?
The canonical SMILES for 4-(2-imidazol-1-ylethyl)piperidine is c1cn(CCC2CCNCC2)cn1.
What is the InChIKey of 4-(2-imidazol-1-ylethyl)piperidine?
The InChIKey is PPIJGGILSYOSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-11-5-2-10(1)3-7-13-8-6-12-9-13/h6,8-11H,1-5,7H2.
What are the key properties of 4-(2-imidazol-1-ylethyl)piperidine?
4-(2-imidazol-1-ylethyl)piperidine has a molecular weight of 179.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-ylethyl)piperidine is sourced from PubChem (CID 13281183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).