1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol

C12H26N2O2 — CID 19706251

IUPAC1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol
SMILESCC(O)CN1CC(C)NCC1(C)CC(C)O
InChIInChI=1S/C12H26N2O2/c1-9-6-14(7-11(3)16)12(4,8-13-9)5-10(2)15/h9-11,13,15-16H,5-8H2,1-4H3
InChIKeyLSEBLCJIMXEGBF-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.19
Rot. Bonds4

About 1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol

1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol (PubChem CID 19706251) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol
PubChem CID19706251
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol
SMILESCC(O)CN1CC(C)NCC1(C)CC(C)O
InChIInChI=1S/C12H26N2O2/c1-9-6-14(7-11(3)16)12(4,8-13-9)5-10(2)15/h9-11,13,15-16H,5-8H2,1-4H3
InChIKeyLSEBLCJIMXEGBF-UHFFFAOYSA-N
XLogP0.19
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol (CID 19706251) is 1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol is CC(O)CN1CC(C)NCC1(C)CC(C)O.
What is the InChIKey of 1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol?
The InChIKey is LSEBLCJIMXEGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9-6-14(7-11(3)16)12(4,8-13-9)5-10(2)15/h9-11,13,15-16H,5-8H2,1-4H3.
What are the key properties of 1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol?
1-[1-(2-hydroxypropyl)-2,5-dimethylpiperazin-2-yl]propan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.19, 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)-2,5-dimethylpiperazin-2-yl]propan-2-ol is sourced from PubChem (CID 19706251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).