1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol

C11H24N2O2 — CID 22593184

IUPAC1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol
SMILESCC(O)CN1CCNCC1(C)CC(C)O
InChIInChI=1S/C11H24N2O2/c1-9(14)6-11(3)8-12-4-5-13(11)7-10(2)15/h9-10,12,14-15H,4-8H2,1-3H3
InChIKeyQJNVYKPSJAZDJV-UHFFFAOYSA-N
MW216.32 g/mol
LogP-0.20
Rot. Bonds4

About 1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol

1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol (PubChem CID 22593184) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol
PubChem CID22593184
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol
SMILESCC(O)CN1CCNCC1(C)CC(C)O
InChIInChI=1S/C11H24N2O2/c1-9(14)6-11(3)8-12-4-5-13(11)7-10(2)15/h9-10,12,14-15H,4-8H2,1-3H3
InChIKeyQJNVYKPSJAZDJV-UHFFFAOYSA-N
XLogP-0.20
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol (CID 22593184) is 1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol is CC(O)CN1CCNCC1(C)CC(C)O.
What is the InChIKey of 1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol?
The InChIKey is QJNVYKPSJAZDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(14)6-11(3)8-12-4-5-13(11)7-10(2)15/h9-10,12,14-15H,4-8H2,1-3H3.
What are the key properties of 1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol?
1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol has a molecular weight of 216.32 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxypropyl)-2-methylpiperazin-2-yl]propan-2-ol is sourced from PubChem (CID 22593184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).