3-(1H-pyrazol-5-yl)piperidine;dihydrochloride

C8H15Cl2N3 — CID 42961300

IUPAC3-(1H-pyrazol-5-yl)piperidine;dihydrochloride
SMILESCl.Cl.c1cc(C2CCCNC2)[nH]n1
InChIInChI=1S/C8H13N3.2ClH/c1-2-7(6-9-4-1)8-3-5-10-11-8;;/h3,5,7,9H,1-2,4,6H2,(H,10,11);2*1H
InChIKeyDIDJOGZJCKOBSG-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.72
Rot. Bonds1

About 3-(1H-pyrazol-5-yl)piperidine;dihydrochloride

3-(1H-pyrazol-5-yl)piperidine;dihydrochloride (PubChem CID 42961300) has the molecular formula C8H15Cl2N3 and a molecular weight of 224.13 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)piperidine;dihydrochloride
PubChem CID42961300
Molecular FormulaC8H15Cl2N3
Molecular Weight224.13 g/mol
Exact Mass223.06
IUPAC Name3-(1H-pyrazol-5-yl)piperidine;dihydrochloride
SMILESCl.Cl.c1cc(C2CCCNC2)[nH]n1
InChIInChI=1S/C8H13N3.2ClH/c1-2-7(6-9-4-1)8-3-5-10-11-8;;/h3,5,7,9H,1-2,4,6H2,(H,10,11);2*1H
InChIKeyDIDJOGZJCKOBSG-UHFFFAOYSA-N
XLogP1.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)piperidine;dihydrochloride?
The IUPAC name of 3-(1H-pyrazol-5-yl)piperidine;dihydrochloride (CID 42961300) is 3-(1H-pyrazol-5-yl)piperidine;dihydrochloride.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)piperidine;dihydrochloride?
The canonical SMILES for 3-(1H-pyrazol-5-yl)piperidine;dihydrochloride is Cl.Cl.c1cc(C2CCCNC2)[nH]n1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)piperidine;dihydrochloride?
The InChIKey is DIDJOGZJCKOBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2ClH/c1-2-7(6-9-4-1)8-3-5-10-11-8;;/h3,5,7,9H,1-2,4,6H2,(H,10,11);2*1H.
What are the key properties of 3-(1H-pyrazol-5-yl)piperidine;dihydrochloride?
3-(1H-pyrazol-5-yl)piperidine;dihydrochloride has a molecular weight of 224.13 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)piperidine;dihydrochloride is sourced from PubChem (CID 42961300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).