4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol

C14H21NO2 — CID 66459685

IUPAC4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol
SMILESOC(CCC1CCCCO1)Cc1ccccn1
InChIInChI=1S/C14H21NO2/c16-13(11-12-5-1-3-9-15-12)7-8-14-6-2-4-10-17-14/h1,3,5,9,13-14,16H,2,4,6-8,10-11H2
InChIKeyZVFJOJNWEXDZMD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.33
Rot. Bonds5

About 4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol

4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol (PubChem CID 66459685) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol
PubChem CID66459685
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol
SMILESOC(CCC1CCCCO1)Cc1ccccn1
InChIInChI=1S/C14H21NO2/c16-13(11-12-5-1-3-9-15-12)7-8-14-6-2-4-10-17-14/h1,3,5,9,13-14,16H,2,4,6-8,10-11H2
InChIKeyZVFJOJNWEXDZMD-UHFFFAOYSA-N
XLogP2.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol
CID 115822339
1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 66461132
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757
N-ethyl-1-(oxolan-2-yl)-5-pyridin-2-ylpentan-3-amine
CID 105156934
3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol
CID 115826914
3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 65164038
3-(oxan-2-yl)-1-quinolin-5-ylpropan-1-ol
CID 115826333
1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
CID 115824182
1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol
CID 103028043
(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol
CID 70411130
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol?
The IUPAC name of 4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol (CID 66459685) is 4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for 4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol?
The canonical SMILES for 4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol is OC(CCC1CCCCO1)Cc1ccccn1.
What is the InChIKey of 4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol?
The InChIKey is ZVFJOJNWEXDZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-13(11-12-5-1-3-9-15-12)7-8-14-6-2-4-10-17-14/h1,3,5,9,13-14,16H,2,4,6-8,10-11H2.
What are the key properties of 4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol?
4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 66459685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).