1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol

C13H17NO2 — CID 102649748

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol
SMILESOC(CCc1ccccn1)C1=CCCCO1
InChIInChI=1S/C13H17NO2/c15-12(13-6-2-4-10-16-13)8-7-11-5-1-3-9-14-11/h1,3,5-6,9,12,15H,2,4,7-8,10H2
InChIKeyHYMLFTFIAFOTEG-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.07
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol

1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol (PubChem CID 102649748) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol
PubChem CID102649748
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol
SMILESOC(CCc1ccccn1)C1=CCCCO1
InChIInChI=1S/C13H17NO2/c15-12(13-6-2-4-10-16-13)8-7-11-5-1-3-9-14-11/h1,3,5-6,9,12,15H,2,4,7-8,10H2
InChIKeyHYMLFTFIAFOTEG-UHFFFAOYSA-N
XLogP2.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-pyridin-2-ylethanamine
CID 102647133
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyridin-2-ylpropan-1-ol
CID 105094348
1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol
CID 105130678
1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol
CID 102649671
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
CID 102646548
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-ol
CID 105079856
1-(2-phenylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-ol
CID 107332285
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106656225
3-pyridin-2-yl-1-quinolin-6-ylpropan-1-ol
CID 105118735
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol (CID 102649748) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol is OC(CCc1ccccn1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol?
The InChIKey is HYMLFTFIAFOTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12(13-6-2-4-10-16-13)8-7-11-5-1-3-9-14-11/h1,3,5-6,9,12,15H,2,4,7-8,10H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol?
1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol has a molecular weight of 219.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 102649748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).