1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol

C13H19NO2 — CID 104736205

IUPAC1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol
SMILESOC(Cc1cccnc1)CC1CCCCO1
InChIInChI=1S/C13H19NO2/c15-12(8-11-4-3-6-14-10-11)9-13-5-1-2-7-16-13/h3-4,6,10,12-13,15H,1-2,5,7-9H2
InChIKeyZQHMMXPGTNZSGN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.94
Rot. Bonds4

About 1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol

1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol (PubChem CID 104736205) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol
PubChem CID104736205
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol
SMILESOC(Cc1cccnc1)CC1CCCCO1
InChIInChI=1S/C13H19NO2/c15-12(8-11-4-3-6-14-10-11)9-13-5-1-2-7-16-13/h3-4,6,10,12-13,15H,1-2,5,7-9H2
InChIKeyZQHMMXPGTNZSGN-UHFFFAOYSA-N
XLogP1.94
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine
CID 62604735
1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
CID 62605827
1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 62606205
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736202
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105034731
1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol
CID 113391342
1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 60798546
2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 110619177
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736
1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 103157191
1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 66271830

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol (CID 104736205) is 1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol is OC(Cc1cccnc1)CC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol?
The InChIKey is ZQHMMXPGTNZSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-12(8-11-4-3-6-14-10-11)9-13-5-1-2-7-16-13/h3-4,6,10,12-13,15H,1-2,5,7-9H2.
What are the key properties of 1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol?
1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 104736205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).