[(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol

C12H26N2O — CID 171587567

IUPAC[(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol
SMILESCC(C)N1C[C@H](C)N(C(C)C)C[C@H]1CO
InChIInChI=1S/C12H26N2O/c1-9(2)13-7-12(8-15)14(10(3)4)6-11(13)5/h9-12,15H,6-8H2,1-5H3/t11-,12-/m0/s1
InChIKeyHHBZUFRPMIMCIZ-RYUDHWBXSA-N
MW214.35 g/mol
LogP1.17
Rot. Bonds3

About [(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol

[(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol (PubChem CID 171587567) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol
PubChem CID171587567
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol
SMILESCC(C)N1C[C@H](C)N(C(C)C)C[C@H]1CO
InChIInChI=1S/C12H26N2O/c1-9(2)13-7-12(8-15)14(10(3)4)6-11(13)5/h9-12,15H,6-8H2,1-5H3/t11-,12-/m0/s1
InChIKeyHHBZUFRPMIMCIZ-RYUDHWBXSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol (CID 171587567) is [(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol is CC(C)N1C[C@H](C)N(C(C)C)C[C@H]1CO.
What is the InChIKey of [(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol?
The InChIKey is HHBZUFRPMIMCIZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)13-7-12(8-15)14(10(3)4)6-11(13)5/h9-12,15H,6-8H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of [(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol?
[(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-methyl-1,4-di(propan-2-yl)piperazin-2-yl]methanol is sourced from PubChem (CID 171587567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).