3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride

C10H19ClN3OP — CID 155755190

IUPAC3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride
SMILESCP(C)(=O)C1CNCC(c2cn[nH]c2)C1.Cl
InChIInChI=1S/C10H18N3OP.ClH/c1-15(2,14)10-3-8(4-11-7-10)9-5-12-13-6-9;/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,12,13);1H
InChIKeyRJNUTFWUUIMENO-UHFFFAOYSA-N
MW263.71 g/mol
LogP1.90
Rot. Bonds2

About 3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride

3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride (PubChem CID 155755190) has the molecular formula C10H19ClN3OP and a molecular weight of 263.71 g/mol. Its IUPAC name is 3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride
PubChem CID155755190
Molecular FormulaC10H19ClN3OP
Molecular Weight263.71 g/mol
Exact Mass263.10
IUPAC Name3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride
SMILESCP(C)(=O)C1CNCC(c2cn[nH]c2)C1.Cl
InChIInChI=1S/C10H18N3OP.ClH/c1-15(2,14)10-3-8(4-11-7-10)9-5-12-13-6-9;/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,12,13);1H
InChIKeyRJNUTFWUUIMENO-UHFFFAOYSA-N
XLogP1.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride?
The IUPAC name of 3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride (CID 155755190) is 3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride.
What is the SMILES notation for 3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride?
The canonical SMILES for 3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride is CP(C)(=O)C1CNCC(c2cn[nH]c2)C1.Cl.
What is the InChIKey of 3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride?
The InChIKey is RJNUTFWUUIMENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3OP.ClH/c1-15(2,14)10-3-8(4-11-7-10)9-5-12-13-6-9;/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,12,13);1H.
What are the key properties of 3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride?
3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride has a molecular weight of 263.71 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride is sourced from PubChem (CID 155755190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).