2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride

C8H20Cl2N2O — CID 54593548

IUPAC2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride
SMILESCC(C)(CO)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H18N2O.2ClH/c1-8(2,7-11)10-5-3-9-4-6-10;;/h9,11H,3-7H2,1-2H3;2*1H
InChIKeyAPPDNESLCCLETD-UHFFFAOYSA-N
MW231.17 g/mol
LogP0.51
Rot. Bonds2

About 2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride

2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride (PubChem CID 54593548) has the molecular formula C8H20Cl2N2O and a molecular weight of 231.17 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride
PubChem CID54593548
Molecular FormulaC8H20Cl2N2O
Molecular Weight231.17 g/mol
Exact Mass230.10
IUPAC Name2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride
SMILESCC(C)(CO)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H18N2O.2ClH/c1-8(2,7-11)10-5-3-9-4-6-10;;/h9,11H,3-7H2,1-2H3;2*1H
InChIKeyAPPDNESLCCLETD-UHFFFAOYSA-N
XLogP0.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride?
The IUPAC name of 2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride (CID 54593548) is 2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride.
What is the SMILES notation for 2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride?
The canonical SMILES for 2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride is CC(C)(CO)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride?
The InChIKey is APPDNESLCCLETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.2ClH/c1-8(2,7-11)10-5-3-9-4-6-10;;/h9,11H,3-7H2,1-2H3;2*1H.
What are the key properties of 2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride?
2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride has a molecular weight of 231.17 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-ylpropan-1-ol;dihydrochloride is sourced from PubChem (CID 54593548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).