4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride

C8H16Cl2N2O — CID 155821051

IUPAC4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride
SMILESCN(C)C1CCN(C(=O)Cl)CC1.Cl
InChIInChI=1S/C8H15ClN2O.ClH/c1-10(2)7-3-5-11(6-4-7)8(9)12;/h7H,3-6H2,1-2H3;1H
InChIKeyHLBXADXHRQMYKI-UHFFFAOYSA-N
MW227.13 g/mol
LogP1.79
Rot. Bonds1

About 4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride

4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride (PubChem CID 155821051) has the molecular formula C8H16Cl2N2O and a molecular weight of 227.13 g/mol. Its IUPAC name is 4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride
PubChem CID155821051
Molecular FormulaC8H16Cl2N2O
Molecular Weight227.13 g/mol
Exact Mass226.06
IUPAC Name4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride
SMILESCN(C)C1CCN(C(=O)Cl)CC1.Cl
InChIInChI=1S/C8H15ClN2O.ClH/c1-10(2)7-3-5-11(6-4-7)8(9)12;/h7H,3-6H2,1-2H3;1H
InChIKeyHLBXADXHRQMYKI-UHFFFAOYSA-N
XLogP1.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride?
The IUPAC name of 4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride (CID 155821051) is 4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride?
The canonical SMILES for 4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride is CN(C)C1CCN(C(=O)Cl)CC1.Cl.
What is the InChIKey of 4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride?
The InChIKey is HLBXADXHRQMYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O.ClH/c1-10(2)7-3-5-11(6-4-7)8(9)12;/h7H,3-6H2,1-2H3;1H.
What are the key properties of 4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride?
4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride has a molecular weight of 227.13 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride is sourced from PubChem (CID 155821051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).