2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol

C16H25NO — CID 104735626

IUPAC2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)Cc1cccnc1
InChIInChI=1S/C16H25NO/c1-15(2,3)14-8-4-5-9-16(14,18)11-13-7-6-10-17-12-13/h6-7,10,12,14,18H,4-5,8-9,11H2,1-3H3
InChIKeyZPECVWDCWMYROG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds2

About 2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol

2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol (PubChem CID 104735626) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
PubChem CID104735626
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)Cc1cccnc1
InChIInChI=1S/C16H25NO/c1-15(2,3)14-8-4-5-9-16(14,18)11-13-7-6-10-17-12-13/h6-7,10,12,14,18H,4-5,8-9,11H2,1-3H3
InChIKeyZPECVWDCWMYROG-UHFFFAOYSA-N
XLogP3.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol (CID 104735626) is 2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol is CC(C)(C)C1CCCCC1(O)Cc1cccnc1.
What is the InChIKey of 2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol?
The InChIKey is ZPECVWDCWMYROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)14-8-4-5-9-16(14,18)11-13-7-6-10-17-12-13/h6-7,10,12,14,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol?
2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 104735626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).