(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol

C12H26N2O2 — CID 124524922

IUPAC(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1C[C@H](C)N(C[C@@H](C)O)C[C@H]1C
InChIInChI=1S/C12H26N2O2/c1-9-5-14(8-12(4)16)10(2)6-13(9)7-11(3)15/h9-12,15-16H,5-8H2,1-4H3/t9-,10+,11+,12-
InChIKeyDTQIXUAQWTUJSV-IWDIQUIJSA-N
MW230.35 g/mol
LogP0.14
Rot. Bonds4

About (2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol

(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol (PubChem CID 124524922) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
PubChem CID124524922
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1C[C@H](C)N(C[C@@H](C)O)C[C@H]1C
InChIInChI=1S/C12H26N2O2/c1-9-5-14(8-12(4)16)10(2)6-13(9)7-11(3)15/h9-12,15-16H,5-8H2,1-4H3/t9-,10+,11+,12-
InChIKeyDTQIXUAQWTUJSV-IWDIQUIJSA-N
XLogP0.14
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-(2-(N,N-Bis-(2-hydroxypropyl)-amino)-ethyl)-4-(2-hydroxypropyl)-piperazine
CID 98117
2,5-Dimethylpiperazine-1,4-diethanol
CID 73433
2-Propanol, 1,1'-[[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]imino]bis-
CID 95623
alpha,alpha'-Dimethylpiperazine-1,4-diethanol
CID 96698
3,3'-(2-Methylpiperazine-1,4-diyl)dipropan-2-ol
CID 97925
alpha,alpha',2,5-Tetramethylpiperazine-1,4-diethanol
CID 103795
1-(4-Methylpiperazin-1-yl)propan-2-ol
CID 12654592
(alphaS)-alpha,4-Dimethyl-1-piperazineethanol
CID 39235510
2-(4-Isopropylpiperazin-1-yl)ethanol
CID 4739630
1-(3-Methylpiperazin-1-yl)propan-2-ol
CID 14324892
1-(2-Ethylpiperazin-1-yl)propan-2-ol
CID 17954154
(2R)-1-(4-methylpiperazin-1-yl)propan-2-ol
CID 39235507

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol (CID 124524922) is (2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol is C[C@H](O)CN1C[C@H](C)N(C[C@@H](C)O)C[C@H]1C.
What is the InChIKey of (2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol?
The InChIKey is DTQIXUAQWTUJSV-IWDIQUIJSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9-5-14(8-12(4)16)10(2)6-13(9)7-11(3)15/h9-12,15-16H,5-8H2,1-4H3/t9-,10+,11+,12-.
What are the key properties of (2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol?
(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 124524922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).