1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride

C9H19Cl2N3O — CID 146037698

IUPAC1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride
SMILESCc1cn[nH]c1N1CCCCC1.Cl.Cl.O
InChIInChI=1S/C9H15N3.2ClH.H2O/c1-8-7-10-11-9(8)12-5-3-2-4-6-12;;;/h7H,2-6H2,1H3,(H,10,11);2*1H;1H2
InChIKeyNJRYEQBOKLVAJM-UHFFFAOYSA-N
MW256.18 g/mol
LogP1.73
Rot. Bonds1

About 1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride

1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride (PubChem CID 146037698) has the molecular formula C9H19Cl2N3O and a molecular weight of 256.18 g/mol. Its IUPAC name is 1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride.

Molecular Properties

Compound Name1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride
PubChem CID146037698
Molecular FormulaC9H19Cl2N3O
Molecular Weight256.18 g/mol
Exact Mass255.09
IUPAC Name1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride
SMILESCc1cn[nH]c1N1CCCCC1.Cl.Cl.O
InChIInChI=1S/C9H15N3.2ClH.H2O/c1-8-7-10-11-9(8)12-5-3-2-4-6-12;;;/h7H,2-6H2,1H3,(H,10,11);2*1H;1H2
InChIKeyNJRYEQBOKLVAJM-UHFFFAOYSA-N
XLogP1.73
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride?
The IUPAC name of 1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride (CID 146037698) is 1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride.
What is the SMILES notation for 1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride?
The canonical SMILES for 1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride is Cc1cn[nH]c1N1CCCCC1.Cl.Cl.O.
What is the InChIKey of 1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride?
The InChIKey is NJRYEQBOKLVAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH.H2O/c1-8-7-10-11-9(8)12-5-3-2-4-6-12;;;/h7H,2-6H2,1H3,(H,10,11);2*1H;1H2.
What are the key properties of 1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride?
1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride has a molecular weight of 256.18 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1H-pyrazol-5-yl)piperidine;hydrate;dihydrochloride is sourced from PubChem (CID 146037698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).