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

C28H28ClNO — CID 21480626

IUPAC4-[(4-chlorophenyl)methyl]-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
SMILESOC1(Cc2ccc(Cl)cc2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C28H28ClNO/c29-21-11-9-20(10-12-21)17-27(31)13-15-30(16-14-27)19-28-18-24(22-5-1-3-7-25(22)28)23-6-2-4-8-26(23)28/h1-12,24,31H,13-19H2
InChIKeyAOEZVJVTVTYRTE-UHFFFAOYSA-N
MW429.99 g/mol
LogP5.54
Rot. Bonds4

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

4-[(4-chlorophenyl)methyl]-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol (PubChem CID 21480626) has the molecular formula C28H28ClNO and a molecular weight of 429.99 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
PubChem CID21480626
Molecular FormulaC28H28ClNO
Molecular Weight429.99 g/mol
Exact Mass429.19
IUPAC Name4-[(4-chlorophenyl)methyl]-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
SMILESOC1(Cc2ccc(Cl)cc2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C28H28ClNO/c29-21-11-9-20(10-12-21)17-27(31)13-15-30(16-14-27)19-28-18-24(22-5-1-3-7-25(22)28)23-6-2-4-8-26(23)28/h1-12,24,31H,13-19H2
InChIKeyAOEZVJVTVTYRTE-UHFFFAOYSA-N
XLogP5.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.99
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-chlorophenyl)methyl]-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol (CID 21480626) is 4-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol is OC1(Cc2ccc(Cl)cc2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
The InChIKey is AOEZVJVTVTYRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClNO/c29-21-11-9-20(10-12-21)17-27(31)13-15-30(16-14-27)19-28-18-24(22-5-1-3-7-25(22)28)23-6-2-4-8-26(23)28/h1-12,24,31H,13-19H2.
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
4-[(4-chlorophenyl)methyl]-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 429.99 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-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 21480626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).