3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine

C23H22N2O — CID 11624309

IUPAC3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine
SMILESc1cncc(-c2ccc3c(c2)Oc2ccccc2C3C2CCNCC2)c1
InChIInChI=1S/C23H22N2O/c1-2-6-21-19(5-1)23(16-9-12-24-13-10-16)20-8-7-17(14-22(20)26-21)18-4-3-11-25-15-18/h1-8,11,14-16,23-24H,9-10,12-13H2
InChIKeyTZBXPWKIDUBRQS-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.99
Rot. Bonds2

About 3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine

3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine (PubChem CID 11624309) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine.

Molecular Properties

Compound Name3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine
PubChem CID11624309
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine
SMILESc1cncc(-c2ccc3c(c2)Oc2ccccc2C3C2CCNCC2)c1
InChIInChI=1S/C23H22N2O/c1-2-6-21-19(5-1)23(16-9-12-24-13-10-16)20-8-7-17(14-22(20)26-21)18-4-3-11-25-15-18/h1-8,11,14-16,23-24H,9-10,12-13H2
InChIKeyTZBXPWKIDUBRQS-UHFFFAOYSA-N
XLogP4.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(furan-3-ylmethyl)-3-(3-pyridin-3-yl-9H-xanthen-9-yl)-8-azabicyclo[3.2.1]octane
CID 11683799
9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol
CID 11639888
3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine
CID 144879283
2-piperidin-4-yloxy-5-pyridin-3-ylpyrimidine
CID 67530584
1-(3-pyridin-3-ylphenyl)piperazine
CID 150431219
3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine
CID 168886592
3-phenyl-9H-xanthen-9-ol
CID 15685341
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
2,2,2-trifluoro-1-[4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidin-1-yl]ethanone
CID 58661997
1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine
CID 24736268
3-azulen-6-ylpyridine
CID 86232079
3-[3-(1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]pyridine
CID 118220154

Frequently Asked Questions

What is the IUPAC name of 3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine?
The IUPAC name of 3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine (CID 11624309) is 3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine.
What is the SMILES notation for 3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine?
The canonical SMILES for 3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine is c1cncc(-c2ccc3c(c2)Oc2ccccc2C3C2CCNCC2)c1.
What is the InChIKey of 3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine?
The InChIKey is TZBXPWKIDUBRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-2-6-21-19(5-1)23(16-9-12-24-13-10-16)20-8-7-17(14-22(20)26-21)18-4-3-11-25-15-18/h1-8,11,14-16,23-24H,9-10,12-13H2.
What are the key properties of 3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine?
3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine has a molecular weight of 342.44 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine is sourced from PubChem (CID 11624309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).