9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol

C19H19N5O2 — CID 11544805

IUPAC9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol
SMILESOc1cccc2c1Oc1cc(-c3nn[nH]n3)ccc1C2C1CCNCC1
InChIInChI=1S/C19H19N5O2/c25-15-3-1-2-14-17(11-6-8-20-9-7-11)13-5-4-12(19-21-23-24-22-19)10-16(13)26-18(14)15/h1-5,10-11,17,20,25H,6-9H2,(H,21,22,23,24)
InChIKeyQWOBCSHOSGVVMO-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.81
Rot. Bonds2

About 9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol

9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol (PubChem CID 11544805) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol.

Molecular Properties

Compound Name9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol
PubChem CID11544805
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol
SMILESOc1cccc2c1Oc1cc(-c3nn[nH]n3)ccc1C2C1CCNCC1
InChIInChI=1S/C19H19N5O2/c25-15-3-1-2-14-17(11-6-8-20-9-7-11)13-5-4-12(19-21-23-24-22-19)10-16(13)26-18(14)15/h1-5,10-11,17,20,25H,6-9H2,(H,21,22,23,24)
InChIKeyQWOBCSHOSGVVMO-UHFFFAOYSA-N
XLogP2.81
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol?
The IUPAC name of 9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol (CID 11544805) is 9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol.
What is the SMILES notation for 9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol?
The canonical SMILES for 9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol is Oc1cccc2c1Oc1cc(-c3nn[nH]n3)ccc1C2C1CCNCC1.
What is the InChIKey of 9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol?
The InChIKey is QWOBCSHOSGVVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-15-3-1-2-14-17(11-6-8-20-9-7-11)13-5-4-12(19-21-23-24-22-19)10-16(13)26-18(14)15/h1-5,10-11,17,20,25H,6-9H2,(H,21,22,23,24).
What are the key properties of 9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol?
9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol has a molecular weight of 349.39 g/mol, XLogP of 2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-piperidin-4-yl-6-(2H-tetrazol-5-yl)-9H-xanthen-4-ol is sourced from PubChem (CID 11544805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).