4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol

C28H29NO — CID 21480590

IUPAC4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
SMILESOC1(Cc2ccccc2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C28H29NO/c30-27(18-21-8-2-1-3-9-21)14-16-29(17-15-27)20-28-19-24(22-10-4-6-12-25(22)28)23-11-5-7-13-26(23)28/h1-13,24,30H,14-20H2
InChIKeyIMCHDNRVRCCGGN-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.89
Rot. Bonds4

About 4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol

4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol (PubChem CID 21480590) has the molecular formula C28H29NO and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
PubChem CID21480590
Molecular FormulaC28H29NO
Molecular Weight395.55 g/mol
Exact Mass395.22
IUPAC Name4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
SMILESOC1(Cc2ccccc2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C28H29NO/c30-27(18-21-8-2-1-3-9-21)14-16-29(17-15-27)20-28-19-24(22-10-4-6-12-25(22)28)23-11-5-7-13-26(23)28/h1-13,24,30H,14-20H2
InChIKeyIMCHDNRVRCCGGN-UHFFFAOYSA-N
XLogP4.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
The IUPAC name of 4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol (CID 21480590) is 4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
The canonical SMILES for 4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol is OC1(Cc2ccccc2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1.
What is the InChIKey of 4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
The InChIKey is IMCHDNRVRCCGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO/c30-27(18-21-8-2-1-3-9-21)14-16-29(17-15-27)20-28-19-24(22-10-4-6-12-25(22)28)23-11-5-7-13-26(23)28/h1-13,24,30H,14-20H2.
What are the key properties of 4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol has a molecular weight of 395.55 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol is sourced from PubChem (CID 21480590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).