2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol

C11H23NO2 — CID 171842845

IUPAC2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CNC[C@H](C(C)(C)O)C1
InChIInChI=1S/C11H23NO2/c1-10(2,13)8-5-9(7-12-6-8)11(3,4)14/h8-9,12-14H,5-7H2,1-4H3/t8-,9+
InChIKeyXMVIRGSGLIPPJX-DTORHVGOSA-N
MW201.31 g/mol
LogP0.75
Rot. Bonds2

About 2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol

2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol (PubChem CID 171842845) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol
PubChem CID171842845
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CNC[C@H](C(C)(C)O)C1
InChIInChI=1S/C11H23NO2/c1-10(2,13)8-5-9(7-12-6-8)11(3,4)14/h8-9,12-14H,5-7H2,1-4H3/t8-,9+
InChIKeyXMVIRGSGLIPPJX-DTORHVGOSA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol?
The IUPAC name of 2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol (CID 171842845) is 2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol is CC(C)(O)[C@@H]1CNC[C@H](C(C)(C)O)C1.
What is the InChIKey of 2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol?
The InChIKey is XMVIRGSGLIPPJX-DTORHVGOSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2,13)8-5-9(7-12-6-8)11(3,4)14/h8-9,12-14H,5-7H2,1-4H3/t8-,9+.
What are the key properties of 2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol?
2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol is sourced from PubChem (CID 171842845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).