bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride

C14H36Cl6N4O — CID 131714940

IUPACbis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.ClCCCN1CCNCC1.ClCCCN1CCNCC1.O
InChIInChI=1S/2C7H15ClN2.4ClH.H2O/c2*8-2-1-5-10-6-3-9-4-7-10;;;;;/h2*9H,1-7H2;4*1H;1H2
InChIKeyBLMUVAGHQXHXAB-UHFFFAOYSA-N
MW489.19 g/mol
LogP1.90
Rot. Bonds6

About bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride

bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride (PubChem CID 131714940) has the molecular formula C14H36Cl6N4O and a molecular weight of 489.19 g/mol. Its IUPAC name is bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride.

Molecular Properties

Compound Namebis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride
PubChem CID131714940
Molecular FormulaC14H36Cl6N4O
Molecular Weight489.19 g/mol
Exact Mass486.10
IUPAC Namebis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.ClCCCN1CCNCC1.ClCCCN1CCNCC1.O
InChIInChI=1S/2C7H15ClN2.4ClH.H2O/c2*8-2-1-5-10-6-3-9-4-7-10;;;;;/h2*9H,1-7H2;4*1H;1H2
InChIKeyBLMUVAGHQXHXAB-UHFFFAOYSA-N
XLogP1.90
TPSA62.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.19
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloropropyl)-1,4-diazepane;dihydrochloride
CID 44784791
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
4-piperazin-1-ylbutan-1-amine;dihydrochloride
CID 139993876
5-piperazin-1-ylpentan-1-amine;hydrochloride
CID 86346240
1-(3-chloropropyl)-4-piperazin-2-ylpiperazine
CID 173235999
2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
1-but-3-ynylpiperazine;hydrochloride
CID 171379591
1-tricosylpiperazine
CID 130183651
1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride
CID 3042591
1-(2-chloroethyl)imidazolidine
CID 66872151
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
1-(3-methylsulfanylpropyl)piperazine
CID 61057069

Frequently Asked Questions

What is the IUPAC name of bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride?
The IUPAC name of bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride (CID 131714940) is bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride.
What is the SMILES notation for bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride?
The canonical SMILES for bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride is Cl.Cl.Cl.Cl.ClCCCN1CCNCC1.ClCCCN1CCNCC1.O.
What is the InChIKey of bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride?
The InChIKey is BLMUVAGHQXHXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15ClN2.4ClH.H2O/c2*8-2-1-5-10-6-3-9-4-7-10;;;;;/h2*9H,1-7H2;4*1H;1H2.
What are the key properties of bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride?
bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride has a molecular weight of 489.19 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(3-chloropropyl)piperazine);hydrate;tetrahydrochloride is sourced from PubChem (CID 131714940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).