(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol

C14H28N2O2 — CID 124780455

IUPAC(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(C[C@@H]2CCCCO2)C[C@H]1C
InChIInChI=1S/C14H28N2O2/c1-12-9-15(6-7-16(12)10-13(2)17)11-14-5-3-4-8-18-14/h12-14,17H,3-11H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyWQPRGTKYPMNWOW-RDBSUJKOSA-N
MW256.39 g/mol
LogP0.94
Rot. Bonds4

About (2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol

(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol (PubChem CID 124780455) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
PubChem CID124780455
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(C[C@@H]2CCCCO2)C[C@H]1C
InChIInChI=1S/C14H28N2O2/c1-12-9-15(6-7-16(12)10-13(2)17)11-14-5-3-4-8-18-14/h12-14,17H,3-11H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyWQPRGTKYPMNWOW-RDBSUJKOSA-N
XLogP0.94
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
(2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol
CID 95309204
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124826594
1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338640
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 124840308
(2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol
CID 124840080
(2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 95610920
3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine
CID 64834625
(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
CID 107225728
4-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]butan-1-ol
CID 100842695
4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
CID 127008908
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol (CID 124780455) is (2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(C[C@@H]2CCCCO2)C[C@H]1C.
What is the InChIKey of (2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is WQPRGTKYPMNWOW-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12-9-15(6-7-16(12)10-13(2)17)11-14-5-3-4-8-18-14/h12-14,17H,3-11H2,1-2H3/t12-,13+,14+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol?
(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 124780455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).