2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride

C13H26Cl2N2O2 — CID 75481424

IUPAC2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride
SMILESCN1CCN(C2(CC(=O)O)CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C13H24N2O2.2ClH/c1-14-7-9-15(10-8-14)13(11-12(16)17)5-3-2-4-6-13;;/h2-11H2,1H3,(H,16,17);2*1H
InChIKeyKTRGPSHTCCLCAJ-UHFFFAOYSA-N
MW313.27 g/mol
LogP2.26
Rot. Bonds3

About 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride

2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride (PubChem CID 75481424) has the molecular formula C13H26Cl2N2O2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride
PubChem CID75481424
Molecular FormulaC13H26Cl2N2O2
Molecular Weight313.27 g/mol
Exact Mass312.14
IUPAC Name2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride
SMILESCN1CCN(C2(CC(=O)O)CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C13H24N2O2.2ClH/c1-14-7-9-15(10-8-14)13(11-12(16)17)5-3-2-4-6-13;;/h2-11H2,1H3,(H,16,17);2*1H
InChIKeyKTRGPSHTCCLCAJ-UHFFFAOYSA-N
XLogP2.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride?
The IUPAC name of 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride (CID 75481424) is 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride.
What is the SMILES notation for 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride?
The canonical SMILES for 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride is CN1CCN(C2(CC(=O)O)CCCCC2)CC1.Cl.Cl.
What is the InChIKey of 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride?
The InChIKey is KTRGPSHTCCLCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.2ClH/c1-14-7-9-15(10-8-14)13(11-12(16)17)5-3-2-4-6-13;;/h2-11H2,1H3,(H,16,17);2*1H.
What are the key properties of 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride?
2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride has a molecular weight of 313.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride is sourced from PubChem (CID 75481424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).