4-[2-(1H-imidazol-5-yl)ethyl]piperidine

C10H17N3 — CID 10176370

IUPAC4-[2-(1H-imidazol-5-yl)ethyl]piperidine
SMILESc1ncc(CCC2CCNCC2)[nH]1
InChIInChI=1S/C10H17N3/c1(2-10-7-12-8-13-10)9-3-5-11-6-4-9/h7-9,11H,1-6H2,(H,12,13)
InChIKeyXSOYKCANSOSZRB-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.34
Rot. Bonds3

About 4-[2-(1H-imidazol-5-yl)ethyl]piperidine

4-[2-(1H-imidazol-5-yl)ethyl]piperidine (PubChem CID 10176370) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(1H-imidazol-5-yl)ethyl]piperidine
PubChem CID10176370
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-[2-(1H-imidazol-5-yl)ethyl]piperidine
SMILESc1ncc(CCC2CCNCC2)[nH]1
InChIInChI=1S/C10H17N3/c1(2-10-7-12-8-13-10)9-3-5-11-6-4-9/h7-9,11H,1-6H2,(H,12,13)
InChIKeyXSOYKCANSOSZRB-UHFFFAOYSA-N
XLogP1.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-5-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(1H-imidazol-5-yl)ethyl]piperidine (CID 10176370) is 4-[2-(1H-imidazol-5-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(1H-imidazol-5-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(1H-imidazol-5-yl)ethyl]piperidine is c1ncc(CCC2CCNCC2)[nH]1.
What is the InChIKey of 4-[2-(1H-imidazol-5-yl)ethyl]piperidine?
The InChIKey is XSOYKCANSOSZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1(2-10-7-12-8-13-10)9-3-5-11-6-4-9/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 4-[2-(1H-imidazol-5-yl)ethyl]piperidine?
4-[2-(1H-imidazol-5-yl)ethyl]piperidine has a molecular weight of 179.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-5-yl)ethyl]piperidine is sourced from PubChem (CID 10176370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).