methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride

C9H18Cl2N2O2 — CID 138991326

IUPACmethyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride
SMILESCOC(=O)C1(N2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C9H16N2O2.2ClH/c1-13-8(12)9(2-3-9)11-6-4-10-5-7-11;;/h10H,2-7H2,1H3;2*1H
InChIKeyURECKXQBVSRRQT-UHFFFAOYSA-N
MW257.16 g/mol
LogP0.44
Rot. Bonds2

About methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride

methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride (PubChem CID 138991326) has the molecular formula C9H18Cl2N2O2 and a molecular weight of 257.16 g/mol. Its IUPAC name is methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride
PubChem CID138991326
Molecular FormulaC9H18Cl2N2O2
Molecular Weight257.16 g/mol
Exact Mass256.07
IUPAC Namemethyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride
SMILESCOC(=O)C1(N2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C9H16N2O2.2ClH/c1-13-8(12)9(2-3-9)11-6-4-10-5-7-11;;/h10H,2-7H2,1H3;2*1H
InChIKeyURECKXQBVSRRQT-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride?
The IUPAC name of methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride (CID 138991326) is methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride?
The canonical SMILES for methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride is COC(=O)C1(N2CCNCC2)CC1.Cl.Cl.
What is the InChIKey of methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride?
The InChIKey is URECKXQBVSRRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.2ClH/c1-13-8(12)9(2-3-9)11-6-4-10-5-7-11;;/h10H,2-7H2,1H3;2*1H.
What are the key properties of methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride?
methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride has a molecular weight of 257.16 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-piperazin-1-ylcyclopropane-1-carboxylate;dihydrochloride is sourced from PubChem (CID 138991326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).