4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol

C25H33NO — CID 3053246

IUPAC4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol
SMILESCC(C)(C)C1(O)CCN(CC2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C25H33NO/c1-24(2,3)25(27)14-16-26(17-15-25)18-23-21-10-6-4-8-19(21)12-13-20-9-5-7-11-22(20)23/h4-11,23,27H,12-18H2,1-3H3
InChIKeyVRPRETQJYFCPRI-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.79
Rot. Bonds2

About 4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol

4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol (PubChem CID 3053246) has the molecular formula C25H33NO and a molecular weight of 363.55 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol
PubChem CID3053246
Molecular FormulaC25H33NO
Molecular Weight363.55 g/mol
Exact Mass363.26
IUPAC Name4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol
SMILESCC(C)(C)C1(O)CCN(CC2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C25H33NO/c1-24(2,3)25(27)14-16-26(17-15-25)18-23-21-10-6-4-8-19(21)12-13-20-9-5-7-11-22(20)23/h4-11,23,27H,12-18H2,1-3H3
InChIKeyVRPRETQJYFCPRI-UHFFFAOYSA-N
XLogP4.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol?
The IUPAC name of 4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol (CID 3053246) is 4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol?
The canonical SMILES for 4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol is CC(C)(C)C1(O)CCN(CC2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol?
The InChIKey is VRPRETQJYFCPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO/c1-24(2,3)25(27)14-16-26(17-15-25)18-23-21-10-6-4-8-19(21)12-13-20-9-5-7-11-22(20)23/h4-11,23,27H,12-18H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol?
4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol has a molecular weight of 363.55 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)piperidin-4-ol is sourced from PubChem (CID 3053246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).