1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol

C11H23NO2 — CID 104680602

IUPAC1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CC1CCCNC1
InChIInChI=1S/C11H23NO2/c1-9(2)14-8-11(13)6-10-4-3-5-12-7-10/h9-13H,3-8H2,1-2H3
InChIKeyNVRSOKGDMQLEEV-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds5

About 1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol

1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol (PubChem CID 104680602) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol
PubChem CID104680602
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CC1CCCNC1
InChIInChI=1S/C11H23NO2/c1-9(2)14-8-11(13)6-10-4-3-5-12-7-10/h9-13H,3-8H2,1-2H3
InChIKeyNVRSOKGDMQLEEV-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-piperidin-3-yl]oxy-3-propan-2-yloxypropan-2-ol
CID 106940494
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol
CID 146334931
3-(2-cyclobutylpropyl)piperidine
CID 130987572
1-(piperidin-3-ylmethoxy)propan-2-ol
CID 106937756
(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol
CID 146397764
(3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine
CID 99980954
(3R)-3-[(2S)-2-methylbutyl]piperidine
CID 11744861
1-(piperidin-3-ylmethoxy)butan-2-ol
CID 106939364
(3R)-3-(2-methylhexyl)piperidine
CID 155456169
3-(2-methylpropyl)azecane
CID 91499893
3-(2-methylpropyl)-azacyclododecane
CID 18705357
1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol
CID 84733447

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol (CID 104680602) is 1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CC1CCCNC1.
What is the InChIKey of 1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol?
The InChIKey is NVRSOKGDMQLEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)14-8-11(13)6-10-4-3-5-12-7-10/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol?
1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 104680602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).