3-imidazol-1-ylpiperidine

C8H13N3 — CID 50986280

IUPAC3-imidazol-1-ylpiperidine
SMILESc1cn(C2CCCNC2)cn1
InChIInChI=1S/C8H13N3/c1-2-8(6-9-3-1)11-5-4-10-7-11/h4-5,7-9H,1-3,6H2
InChIKeyUYOZDXASYOYYCF-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.81
Rot. Bonds1

About 3-imidazol-1-ylpiperidine

3-imidazol-1-ylpiperidine (PubChem CID 50986280) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-imidazol-1-ylpiperidine.

Molecular Properties

Compound Name3-imidazol-1-ylpiperidine
PubChem CID50986280
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-imidazol-1-ylpiperidine
SMILESc1cn(C2CCCNC2)cn1
InChIInChI=1S/C8H13N3/c1-2-8(6-9-3-1)11-5-4-10-7-11/h4-5,7-9H,1-3,6H2
InChIKeyUYOZDXASYOYYCF-UHFFFAOYSA-N
XLogP0.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylpiperidine?
The IUPAC name of 3-imidazol-1-ylpiperidine (CID 50986280) is 3-imidazol-1-ylpiperidine.
What is the SMILES notation for 3-imidazol-1-ylpiperidine?
The canonical SMILES for 3-imidazol-1-ylpiperidine is c1cn(C2CCCNC2)cn1.
What is the InChIKey of 3-imidazol-1-ylpiperidine?
The InChIKey is UYOZDXASYOYYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-8(6-9-3-1)11-5-4-10-7-11/h4-5,7-9H,1-3,6H2.
What are the key properties of 3-imidazol-1-ylpiperidine?
3-imidazol-1-ylpiperidine has a molecular weight of 151.21 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylpiperidine is sourced from PubChem (CID 50986280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).