4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol

C19H37NO — CID 114596852

IUPAC4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CC(C)C(C)N(CC2CC(C(C)(C)C)CCC2O)C1
InChIInChI=1S/C19H37NO/c1-13-9-14(2)15(3)20(11-13)12-16-10-17(19(4,5)6)7-8-18(16)21/h13-18,21H,7-12H2,1-6H3
InChIKeyODWPVGAJAUQSEZ-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.18
Rot. Bonds2

About 4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol

4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 114596852) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID114596852
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CC(C)C(C)N(CC2CC(C(C)(C)C)CCC2O)C1
InChIInChI=1S/C19H37NO/c1-13-9-14(2)15(3)20(11-13)12-16-10-17(19(4,5)6)7-8-18(16)21/h13-18,21H,7-12H2,1-6H3
InChIKeyODWPVGAJAUQSEZ-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol (CID 114596852) is 4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol is CC1CC(C)C(C)N(CC2CC(C(C)(C)C)CCC2O)C1.
What is the InChIKey of 4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is ODWPVGAJAUQSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-13-9-14(2)15(3)20(11-13)12-16-10-17(19(4,5)6)7-8-18(16)21/h13-18,21H,7-12H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol?
4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 295.51 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 114596852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).