1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol

C11H23NO3 — CID 106940494

IUPAC1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CO[C@H]1CCCNC1
InChIInChI=1S/C11H23NO3/c1-9(2)14-7-10(13)8-15-11-4-3-5-12-6-11/h9-13H,3-8H2,1-2H3/t10?,11-/m0/s1
InChIKeyYFDPPGDGXJPHTM-DTIOYNMSSA-N
MW217.31 g/mol
LogP0.54
Rot. Bonds6

About 1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol

1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol (PubChem CID 106940494) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol
PubChem CID106940494
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CO[C@H]1CCCNC1
InChIInChI=1S/C11H23NO3/c1-9(2)14-7-10(13)8-15-11-4-3-5-12-6-11/h9-13H,3-8H2,1-2H3/t10?,11-/m0/s1
InChIKeyYFDPPGDGXJPHTM-DTIOYNMSSA-N
XLogP0.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol
CID 104680602
1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol
CID 106941145
2-methyl-3-piperidin-3-yloxypropanamide
CID 43312284
(3S)-3-(2-methylpentoxy)piperidine
CID 66247189
(2R)-3-[(3R)-pyrrolidin-3-yl]oxypropane-1,2-diol
CID 141146160
1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol
CID 106991198
3-propan-2-yloxypiperidine;hydrochloride
CID 53409755
2-piperidin-3-yloxyethanol
CID 43197065
(3S)-3-(2-methylprop-2-enoxy)piperidine
CID 66247581
2-methyl-4-piperidin-3-yloxybutan-2-ol
CID 79355379
methyl 2-[(3R)-piperidin-3-yl]oxyacetate
CID 99909798
3-(piperidin-3-yloxymethyl)pentan-3-ol
CID 106939326

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol (CID 106940494) is 1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CO[C@H]1CCCNC1.
What is the InChIKey of 1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol?
The InChIKey is YFDPPGDGXJPHTM-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(2)14-7-10(13)8-15-11-4-3-5-12-6-11/h9-13H,3-8H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of 1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol?
1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 106940494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).