1-(1-methoxypropan-2-yl)piperazine;dihydrochloride

C8H20Cl2N2O — CID 50988385

IUPAC1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
SMILESCOCC(C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H18N2O.2ClH/c1-8(7-11-2)10-5-3-9-4-6-10;;/h8-9H,3-7H2,1-2H3;2*1H
InChIKeyZMPDRRNPIRIOKZ-UHFFFAOYSA-N
MW231.17 g/mol
LogP0.77
Rot. Bonds3

About 1-(1-methoxypropan-2-yl)piperazine;dihydrochloride

1-(1-methoxypropan-2-yl)piperazine;dihydrochloride (PubChem CID 50988385) has the molecular formula C8H20Cl2N2O and a molecular weight of 231.17 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
PubChem CID50988385
Molecular FormulaC8H20Cl2N2O
Molecular Weight231.17 g/mol
Exact Mass230.10
IUPAC Name1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
SMILESCOCC(C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H18N2O.2ClH/c1-8(7-11-2)10-5-3-9-4-6-10;;/h8-9H,3-7H2,1-2H3;2*1H
InChIKeyZMPDRRNPIRIOKZ-UHFFFAOYSA-N
XLogP0.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine
CID 162764220
1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021732
1-[(2S)-1-(2-methoxypropan-2-yloxy)propan-2-yl]-1,4,7,10-tetrazacyclododecane
CID 166723382
1-(1-iodopropan-2-yl)piperazine
CID 69349965
1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021730
1-(1-methoxypropan-2-yl)-4-methylpiperidin-4-amine;hydrochloride
CID 131089433
fluoromethane;1-(1-methoxybutan-2-yl)piperazine
CID 162038929
1-(1-methoxypropan-2-yl)piperidin-4-one
CID 24709095
1-(4,5-dimethylhexan-2-yl)piperazine
CID 134335221
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519
1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021726

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)piperazine;dihydrochloride?
The IUPAC name of 1-(1-methoxypropan-2-yl)piperazine;dihydrochloride (CID 50988385) is 1-(1-methoxypropan-2-yl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)piperazine;dihydrochloride?
The canonical SMILES for 1-(1-methoxypropan-2-yl)piperazine;dihydrochloride is COCC(C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-(1-methoxypropan-2-yl)piperazine;dihydrochloride?
The InChIKey is ZMPDRRNPIRIOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.2ClH/c1-8(7-11-2)10-5-3-9-4-6-10;;/h8-9H,3-7H2,1-2H3;2*1H.
What are the key properties of 1-(1-methoxypropan-2-yl)piperazine;dihydrochloride?
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride has a molecular weight of 231.17 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)piperazine;dihydrochloride is sourced from PubChem (CID 50988385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).