4-imidazol-1-ylpiperidine;hydrochloride

C8H14ClN3 — CID 53421765

IUPAC4-imidazol-1-ylpiperidine;hydrochloride
SMILESCl.c1cn(C2CCNCC2)cn1
InChIInChI=1S/C8H13N3.ClH/c1-3-9-4-2-8(1)11-6-5-10-7-11;/h5-9H,1-4H2;1H
InChIKeyUMLNFIRWLHGMFR-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.23
Rot. Bonds1

About 4-imidazol-1-ylpiperidine;hydrochloride

4-imidazol-1-ylpiperidine;hydrochloride (PubChem CID 53421765) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 4-imidazol-1-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-imidazol-1-ylpiperidine;hydrochloride
PubChem CID53421765
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name4-imidazol-1-ylpiperidine;hydrochloride
SMILESCl.c1cn(C2CCNCC2)cn1
InChIInChI=1S/C8H13N3.ClH/c1-3-9-4-2-8(1)11-6-5-10-7-11;/h5-9H,1-4H2;1H
InChIKeyUMLNFIRWLHGMFR-UHFFFAOYSA-N
XLogP1.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-ylpiperidine;hydrochloride?
The IUPAC name of 4-imidazol-1-ylpiperidine;hydrochloride (CID 53421765) is 4-imidazol-1-ylpiperidine;hydrochloride.
What is the SMILES notation for 4-imidazol-1-ylpiperidine;hydrochloride?
The canonical SMILES for 4-imidazol-1-ylpiperidine;hydrochloride is Cl.c1cn(C2CCNCC2)cn1.
What is the InChIKey of 4-imidazol-1-ylpiperidine;hydrochloride?
The InChIKey is UMLNFIRWLHGMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.ClH/c1-3-9-4-2-8(1)11-6-5-10-7-11;/h5-9H,1-4H2;1H.
What are the key properties of 4-imidazol-1-ylpiperidine;hydrochloride?
4-imidazol-1-ylpiperidine;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-ylpiperidine;hydrochloride is sourced from PubChem (CID 53421765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).