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

C10H17N3 — CID 11412714

IUPAC2-[2-(1H-imidazol-5-yl)ethyl]piperidine
SMILESc1ncc(CCC2CCCCN2)[nH]1
InChIInChI=1S/C10H17N3/c1-2-6-12-9(3-1)4-5-10-7-11-8-13-10/h7-9,12H,1-6H2,(H,11,13)
InChIKeyPCDPTLHPAMRZIW-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.48
Rot. Bonds3

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

2-[2-(1H-imidazol-5-yl)ethyl]piperidine (PubChem CID 11412714) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethyl]piperidine
PubChem CID11412714
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-[2-(1H-imidazol-5-yl)ethyl]piperidine
SMILESc1ncc(CCC2CCCCN2)[nH]1
InChIInChI=1S/C10H17N3/c1-2-6-12-9(3-1)4-5-10-7-11-8-13-10/h7-9,12H,1-6H2,(H,11,13)
InChIKeyPCDPTLHPAMRZIW-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]piperidine?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]piperidine (CID 11412714) is 2-[2-(1H-imidazol-5-yl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]piperidine?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]piperidine is c1ncc(CCC2CCCCN2)[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]piperidine?
The InChIKey is PCDPTLHPAMRZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-6-12-9(3-1)4-5-10-7-11-8-13-10/h7-9,12H,1-6H2,(H,11,13).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]piperidine?
2-[2-(1H-imidazol-5-yl)ethyl]piperidine has a molecular weight of 179.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethyl]piperidine is sourced from PubChem (CID 11412714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).