(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol

C11H24N2O2 — CID 124776706

IUPAC(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(C[C@@H](C)O)[C@H](C)C1
InChIInChI=1S/C11H24N2O2/c1-9-6-12(7-10(2)14)4-5-13(9)8-11(3)15/h9-11,14-15H,4-8H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyGPXSTLAIBOEFST-OUAUKWLOSA-N
MW216.32 g/mol
LogP-0.25
Rot. Bonds4

About (2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol

(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol (PubChem CID 124776706) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
PubChem CID124776706
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(C[C@@H](C)O)[C@H](C)C1
InChIInChI=1S/C11H24N2O2/c1-9-6-12(7-10(2)14)4-5-13(9)8-11(3)15/h9-11,14-15H,4-8H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyGPXSTLAIBOEFST-OUAUKWLOSA-N
XLogP-0.25
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-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

Related Compounds

(2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 95610920
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124826594
4-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]butan-1-ol
CID 100842695
(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
CID 124524922
(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124780455
(2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol
CID 124840080
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
(2S)-1-[(2R)-4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778972
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 56802797
N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide
CID 124742766
(2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 99802465
(2R)-1-[(2S)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98763698

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol (CID 124776706) is (2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(C[C@@H](C)O)[C@H](C)C1.
What is the InChIKey of (2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is GPXSTLAIBOEFST-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9-6-12(7-10(2)14)4-5-13(9)8-11(3)15/h9-11,14-15H,4-8H2,1-3H3/t9-,10+,11-/m1/s1.
What are the key properties of (2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol?
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 216.32 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 124776706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).