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

C26H26N2O — CID 21480602

IUPAC4-pyridin-2-yl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
SMILESOC1(c2ccccn2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C26H26N2O/c29-26(24-11-5-6-14-27-24)12-15-28(16-13-26)18-25-17-21(19-7-1-3-9-22(19)25)20-8-2-4-10-23(20)25/h1-11,14,21,29H,12-13,15-18H2
InChIKeyRFBVEQHMGUDQPN-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.20
Rot. Bonds3

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

4-pyridin-2-yl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol (PubChem CID 21480602) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-pyridin-2-yl-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-pyridin-2-yl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
PubChem CID21480602
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name4-pyridin-2-yl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
SMILESOC1(c2ccccn2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C26H26N2O/c29-26(24-11-5-6-14-27-24)12-15-28(16-13-26)18-25-17-21(19-7-1-3-9-22(19)25)20-8-2-4-10-23(20)25/h1-11,14,21,29H,12-13,15-18H2
InChIKeyRFBVEQHMGUDQPN-UHFFFAOYSA-N
XLogP4.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-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-pyridin-2-yl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol (CID 21480602) is 4-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol is OC1(c2ccccn2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1.
What is the InChIKey of 4-pyridin-2-yl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
The InChIKey is RFBVEQHMGUDQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c29-26(24-11-5-6-14-27-24)12-15-28(16-13-26)18-25-17-21(19-7-1-3-9-22(19)25)20-8-2-4-10-23(20)25/h1-11,14,21,29H,12-13,15-18H2.
What are the key properties of 4-pyridin-2-yl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
4-pyridin-2-yl-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 382.51 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-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 21480602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).