1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride

C8H16ClN3 — CID 24842702

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride
SMILESC1CCN(C2=NCCN2)CC1.Cl
InChIInChI=1S/C8H15N3.ClH/c1-2-6-11(7-3-1)8-9-4-5-10-8;/h1-7H2,(H,9,10);1H
InChIKeyXPZKJYIKJGTOCW-UHFFFAOYSA-N
MW189.69 g/mol
LogP0.85
Rot. Bonds

About 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride

1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride (PubChem CID 24842702) has the molecular formula C8H16ClN3 and a molecular weight of 189.69 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride
PubChem CID24842702
Molecular FormulaC8H16ClN3
Molecular Weight189.69 g/mol
Exact Mass189.10
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride
SMILESC1CCN(C2=NCCN2)CC1.Cl
InChIInChI=1S/C8H15N3.ClH/c1-2-6-11(7-3-1)8-9-4-5-10-8;/h1-7H2,(H,9,10);1H
InChIKeyXPZKJYIKJGTOCW-UHFFFAOYSA-N
XLogP0.85
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride (CID 24842702) is 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride is C1CCN(C2=NCCN2)CC1.Cl.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride?
The InChIKey is XPZKJYIKJGTOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.ClH/c1-2-6-11(7-3-1)8-9-4-5-10-8;/h1-7H2,(H,9,10);1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride?
1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine;hydrochloride is sourced from PubChem (CID 24842702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).