1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol

C16H23NO — CID 21420912

IUPAC1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol
SMILESOC(CC1CCC1)(CC1CCC1)c1cccnc1
InChIInChI=1S/C16H23NO/c18-16(10-13-4-1-5-13,11-14-6-2-7-14)15-8-3-9-17-12-15/h3,8-9,12-14,18H,1-2,4-7,10-11H2
InChIKeyIBMMRWHEBJJZMO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.65
Rot. Bonds5

About 1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol

1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 21420912) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol
PubChem CID21420912
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol
SMILESOC(CC1CCC1)(CC1CCC1)c1cccnc1
InChIInChI=1S/C16H23NO/c18-16(10-13-4-1-5-13,11-14-6-2-7-14)15-8-3-9-17-12-15/h3,8-9,12-14,18H,1-2,4-7,10-11H2
InChIKeyIBMMRWHEBJJZMO-UHFFFAOYSA-N
XLogP3.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol
CID 21420913
dicyclohexyl(pyridin-3-yl)methanol
CID 70631118
tripyridin-3-ylmethanol
CID 177395677
3-(2-cyclobutylethyl)pyridine
CID 57204476
2,8-dimethyl-5-pyridin-3-ylnonan-5-ol
CID 21420922
1-[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]-3-piperidin-4-yl-2-pyridin-3-ylpropan-2-ol
CID 67637785
1-cyclopentyl-2-phenylpentan-2-ol
CID 65147061
(1R)-1-(3-aminophenyl)-3-cyclopropyl-1-pyridin-3-ylpropan-1-ol
CID 163758169
1-piperidin-3-yl-1-pyridin-3-ylethanol
CID 63585901
2-cyclohexyl-1,1-diphenylethanol
CID 177391647
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
3-(2-cyclohexylpropan-2-yl)pyridine
CID 91076672

Frequently Asked Questions

What is the IUPAC name of 1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol (CID 21420912) is 1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol is OC(CC1CCC1)(CC1CCC1)c1cccnc1.
What is the InChIKey of 1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol?
The InChIKey is IBMMRWHEBJJZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16(10-13-4-1-5-13,11-14-6-2-7-14)15-8-3-9-17-12-15/h3,8-9,12-14,18H,1-2,4-7,10-11H2.
What are the key properties of 1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol?
1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(cyclobutyl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 21420912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).