4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride

C11H21Cl2N3O — CID 168873592

IUPAC4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride
SMILESCN1CCN(C2CCN(C(=O)Cl)CC2)CC1.Cl
InChIInChI=1S/C11H20ClN3O.ClH/c1-13-6-8-14(9-7-13)10-2-4-15(5-3-10)11(12)16;/h10H,2-9H2,1H3;1H
InChIKeyOFWWZKNWKQUGER-UHFFFAOYSA-N
MW282.21 g/mol
LogP1.48
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride

4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride (PubChem CID 168873592) has the molecular formula C11H21Cl2N3O and a molecular weight of 282.21 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride
PubChem CID168873592
Molecular FormulaC11H21Cl2N3O
Molecular Weight282.21 g/mol
Exact Mass281.11
IUPAC Name4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride
SMILESCN1CCN(C2CCN(C(=O)Cl)CC2)CC1.Cl
InChIInChI=1S/C11H20ClN3O.ClH/c1-13-6-8-14(9-7-13)10-2-4-15(5-3-10)11(12)16;/h10H,2-9H2,1H3;1H
InChIKeyOFWWZKNWKQUGER-UHFFFAOYSA-N
XLogP1.48
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
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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Related Compounds

1-[4-(4-methylpiperazin-1-yl)azepan-1-yl]ethanone
CID 146290512
4-morpholin-4-ylpiperidine-1-carbonyl chloride
CID 15700344
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 169029279
ethane;4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 143900234
ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
CID 58135902
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 178115862
3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one;oxalic acid
CID 2912644
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 177135013
ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
CID 58136060

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride?
The IUPAC name of 4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride (CID 168873592) is 4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride is CN1CCN(C2CCN(C(=O)Cl)CC2)CC1.Cl.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride?
The InChIKey is OFWWZKNWKQUGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O.ClH/c1-13-6-8-14(9-7-13)10-2-4-15(5-3-10)11(12)16;/h10H,2-9H2,1H3;1H.
What are the key properties of 4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride?
4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride has a molecular weight of 282.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride is sourced from PubChem (CID 168873592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).