bis(piperidine);hydrate;tetrahydrochloride

C10H28Cl4N2O — CID 67752585

IUPACbis(piperidine);hydrate;tetrahydrochloride
SMILESC1CCNCC1.C1CCNCC1.Cl.Cl.Cl.Cl.O
InChIInChI=1S/2C5H11N.4ClH.H2O/c2*1-2-4-6-5-3-1;;;;;/h2*6H,1-5H2;4*1H;1H2
InChIKeyNCWVUVLMTFWACP-UHFFFAOYSA-N
MW334.16 g/mol
LogP2.38
Rot. Bonds

About bis(piperidine);hydrate;tetrahydrochloride

bis(piperidine);hydrate;tetrahydrochloride (PubChem CID 67752585) has the molecular formula C10H28Cl4N2O and a molecular weight of 334.16 g/mol. Its IUPAC name is bis(piperidine);hydrate;tetrahydrochloride.

Molecular Properties

Compound Namebis(piperidine);hydrate;tetrahydrochloride
PubChem CID67752585
Molecular FormulaC10H28Cl4N2O
Molecular Weight334.16 g/mol
Exact Mass332.10
IUPAC Namebis(piperidine);hydrate;tetrahydrochloride
SMILESC1CCNCC1.C1CCNCC1.Cl.Cl.Cl.Cl.O
InChIInChI=1S/2C5H11N.4ClH.H2O/c2*1-2-4-6-5-3-1;;;;;/h2*6H,1-5H2;4*1H;1H2
InChIKeyNCWVUVLMTFWACP-UHFFFAOYSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azacycloheptadecane
CID 22627811
azepane;piperidine
CID 67415778
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
1,8,15,22-tetrazacyclooctacosane
CID 15722579
azacyclotriacontane
CID 57238597
1,4,7-triazacycloundecane;trihydrochloride
CID 71676580
azonane;manganese
CID 57468151
manganese;pyrrolidine;hydrochloride
CID 174974420
1,4,11,14-tetrazacycloicosane
CID 10989751
λ2-plumbane;piperidine
CID 174691301
1,5,9,14,18,22-hexazacyclohexacosane;hexahydrochloride
CID 71676783

Frequently Asked Questions

What is the IUPAC name of bis(piperidine);hydrate;tetrahydrochloride?
The IUPAC name of bis(piperidine);hydrate;tetrahydrochloride (CID 67752585) is bis(piperidine);hydrate;tetrahydrochloride.
What is the SMILES notation for bis(piperidine);hydrate;tetrahydrochloride?
The canonical SMILES for bis(piperidine);hydrate;tetrahydrochloride is C1CCNCC1.C1CCNCC1.Cl.Cl.Cl.Cl.O.
What is the InChIKey of bis(piperidine);hydrate;tetrahydrochloride?
The InChIKey is NCWVUVLMTFWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N.4ClH.H2O/c2*1-2-4-6-5-3-1;;;;;/h2*6H,1-5H2;4*1H;1H2.
What are the key properties of bis(piperidine);hydrate;tetrahydrochloride?
bis(piperidine);hydrate;tetrahydrochloride has a molecular weight of 334.16 g/mol, XLogP of 2.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(piperidine);hydrate;tetrahydrochloride is sourced from PubChem (CID 67752585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).