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

C13H20N2O2 — CID 91427415

IUPAC1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol
SMILESOC(COc1ccccn1)CN1CCCCC1
InChIInChI=1S/C13H20N2O2/c16-12(10-15-8-4-1-5-9-15)11-17-13-6-2-3-7-14-13/h2-3,6-7,12,16H,1,4-5,8-11H2
InChIKeyGVRKLSABHTWDMZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.31
Rot. Bonds5

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

1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol (PubChem CID 91427415) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol
PubChem CID91427415
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol
SMILESOC(COc1ccccn1)CN1CCCCC1
InChIInChI=1S/C13H20N2O2/c16-12(10-15-8-4-1-5-9-15)11-17-13-6-2-3-7-14-13/h2-3,6-7,12,16H,1,4-5,8-11H2
InChIKeyGVRKLSABHTWDMZ-UHFFFAOYSA-N
XLogP1.31
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
2-Ethoxypyridine
CID 84499
5-Piperidin-1-ylmethyl-2-(3-piperidin-1-yl-propoxy)-pyridine
CID 11666852
Allyl 2-pyridyl ether
CID 79906
Butyl 2-pyridyl ether
CID 95701
Trimethyl(2-pyridin-3-yloxyethyl)azanium;chloride
CID 9794400
2-[(1-Methylpyrrolidin-2-yl)methoxy]pyridine
CID 23223052
2-(2-Pyrrolidin-1-yl-ethoxy)-pyridine
CID 44325655
2-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 44325897
2-(4-(2-(Pyrrolidin-1-yl)ethoxy)phenoxy)pyridine
CID 49805049
2-(2-Pyridyloxy)ethyl(dimethyl)amine
CID 96499
2-(Pyridin-2-yloxy)ethanamine
CID 96890

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol?
The IUPAC name of 1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol (CID 91427415) is 1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol.
What is the SMILES notation for 1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol?
The canonical SMILES for 1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol is OC(COc1ccccn1)CN1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol?
The InChIKey is GVRKLSABHTWDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12(10-15-8-4-1-5-9-15)11-17-13-6-2-3-7-14-13/h2-3,6-7,12,16H,1,4-5,8-11H2.
What are the key properties of 1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol?
1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol is sourced from PubChem (CID 91427415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).