carbamoyl chloride;piperazine

C5H12ClN3O — CID 22220031

IUPACcarbamoyl chloride;piperazine
SMILESC1CNCCN1.NC(=O)Cl
InChIInChI=1S/C4H10N2.CH2ClNO/c1-2-6-4-3-5-1;2-1(3)4/h5-6H,1-4H2;(H2,3,4)
InChIKeyYQQLNQBAIBBZPM-UHFFFAOYSA-N
MW165.62 g/mol
LogP-0.52
Rot. Bonds

About carbamoyl chloride;piperazine

carbamoyl chloride;piperazine (PubChem CID 22220031) has the molecular formula C5H12ClN3O and a molecular weight of 165.62 g/mol. Its IUPAC name is carbamoyl chloride;piperazine.

Molecular Properties

Compound Namecarbamoyl chloride;piperazine
PubChem CID22220031
Molecular FormulaC5H12ClN3O
Molecular Weight165.62 g/mol
Exact Mass165.07
IUPAC Namecarbamoyl chloride;piperazine
SMILESC1CNCCN1.NC(=O)Cl
InChIInChI=1S/C4H10N2.CH2ClNO/c1-2-6-4-3-5-1;2-1(3)4/h5-6H,1-4H2;(H2,3,4)
InChIKeyYQQLNQBAIBBZPM-UHFFFAOYSA-N
XLogP-0.52
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamoyl chloride;piperazine?
The IUPAC name of carbamoyl chloride;piperazine (CID 22220031) is carbamoyl chloride;piperazine.
What is the SMILES notation for carbamoyl chloride;piperazine?
The canonical SMILES for carbamoyl chloride;piperazine is C1CNCCN1.NC(=O)Cl.
What is the InChIKey of carbamoyl chloride;piperazine?
The InChIKey is YQQLNQBAIBBZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.CH2ClNO/c1-2-6-4-3-5-1;2-1(3)4/h5-6H,1-4H2;(H2,3,4).
What are the key properties of carbamoyl chloride;piperazine?
carbamoyl chloride;piperazine has a molecular weight of 165.62 g/mol, XLogP of -0.52, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl chloride;piperazine is sourced from PubChem (CID 22220031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).