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

C8H19ClN2O — CID 66728677

IUPAC2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride
SMILESCC(C)(O)CN1CCNCC1.Cl
InChIInChI=1S/C8H18N2O.ClH/c1-8(2,11)7-10-5-3-9-4-6-10;/h9,11H,3-7H2,1-2H3;1H
InChIKeyHWANYALOCQZPJD-UHFFFAOYSA-N
MW194.71 g/mol
LogP0.08
Rot. Bonds2

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

2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride (PubChem CID 66728677) has the molecular formula C8H19ClN2O and a molecular weight of 194.71 g/mol. Its IUPAC name is 2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride
PubChem CID66728677
Molecular FormulaC8H19ClN2O
Molecular Weight194.71 g/mol
Exact Mass194.12
IUPAC Name2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride
SMILESCC(C)(O)CN1CCNCC1.Cl
InChIInChI=1S/C8H18N2O.ClH/c1-8(2,11)7-10-5-3-9-4-6-10;/h9,11H,3-7H2,1-2H3;1H
InChIKeyHWANYALOCQZPJD-UHFFFAOYSA-N
XLogP0.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride (CID 66728677) is 2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride is CC(C)(O)CN1CCNCC1.Cl.
What is the InChIKey of 2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is HWANYALOCQZPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.ClH/c1-8(2,11)7-10-5-3-9-4-6-10;/h9,11H,3-7H2,1-2H3;1H.
What are the key properties of 2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride?
2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 194.71 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperazin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 66728677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).