1-(cyclobutylmethyl)piperazine;dihydrochloride

C9H20Cl2N2 — CID 16801145

IUPAC1-(cyclobutylmethyl)piperazine;dihydrochloride
SMILESC1CC(CN2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-2-9(3-1)8-11-6-4-10-5-7-11;;/h9-10H,1-8H2;2*1H
InChIKeyJSTACSHYPWXTGI-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.54
Rot. Bonds2

About 1-(cyclobutylmethyl)piperazine;dihydrochloride

1-(cyclobutylmethyl)piperazine;dihydrochloride (PubChem CID 16801145) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(cyclobutylmethyl)piperazine;dihydrochloride
PubChem CID16801145
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Name1-(cyclobutylmethyl)piperazine;dihydrochloride
SMILESC1CC(CN2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-2-9(3-1)8-11-6-4-10-5-7-11;;/h9-10H,1-8H2;2*1H
InChIKeyJSTACSHYPWXTGI-UHFFFAOYSA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)piperazine;dihydrochloride?
The IUPAC name of 1-(cyclobutylmethyl)piperazine;dihydrochloride (CID 16801145) is 1-(cyclobutylmethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(cyclobutylmethyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(cyclobutylmethyl)piperazine;dihydrochloride is C1CC(CN2CCNCC2)C1.Cl.Cl.
What is the InChIKey of 1-(cyclobutylmethyl)piperazine;dihydrochloride?
The InChIKey is JSTACSHYPWXTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c1-2-9(3-1)8-11-6-4-10-5-7-11;;/h9-10H,1-8H2;2*1H.
What are the key properties of 1-(cyclobutylmethyl)piperazine;dihydrochloride?
1-(cyclobutylmethyl)piperazine;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)piperazine;dihydrochloride is sourced from PubChem (CID 16801145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).