2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol

C20H23NO — CID 70398387

IUPAC2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol
SMILESOC1(C2CCNCC2)c2ccccc2C=CC2C=CC=CC21
InChIInChI=1S/C20H23NO/c22-20(17-11-13-21-14-12-17)18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)20/h1-10,15,17-18,21-22H,11-14H2
InChIKeyFKBVYDYORXUJPD-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.26
Rot. Bonds1

About 2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol

2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol (PubChem CID 70398387) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol.

Molecular Properties

Compound Name2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol
PubChem CID70398387
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol
SMILESOC1(C2CCNCC2)c2ccccc2C=CC2C=CC=CC21
InChIInChI=1S/C20H23NO/c22-20(17-11-13-21-14-12-17)18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)20/h1-10,15,17-18,21-22H,11-14H2
InChIKeyFKBVYDYORXUJPD-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol?
The IUPAC name of 2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol (CID 70398387) is 2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol.
What is the SMILES notation for 2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol?
The canonical SMILES for 2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol is OC1(C2CCNCC2)c2ccccc2C=CC2C=CC=CC21.
What is the InChIKey of 2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol?
The InChIKey is FKBVYDYORXUJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c22-20(17-11-13-21-14-12-17)18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)20/h1-10,15,17-18,21-22H,11-14H2.
What are the key properties of 2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol?
2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol has a molecular weight of 293.41 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yltricyclo[9.4.0.03,8]pentadeca-1(15),4,6,9,11,13-hexaen-2-ol is sourced from PubChem (CID 70398387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).