9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol

C26H26N2O2 — CID 11639888

IUPAC9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol
SMILESC=CCN1CCC(C2c3ccc(-c4cccnc4)cc3Oc3c(O)cccc32)CC1
InChIInChI=1S/C26H26N2O2/c1-2-13-28-14-10-18(11-15-28)25-21-9-8-19(20-5-4-12-27-17-20)16-24(21)30-26-22(25)6-3-7-23(26)29/h2-9,12,16-18,25,29H,1,10-11,13-15H2
InChIKeyWXNIFVYMMZZTES-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.59
Rot. Bonds4

About 9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol

9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol (PubChem CID 11639888) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol.

Molecular Properties

Compound Name9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol
PubChem CID11639888
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol
SMILESC=CCN1CCC(C2c3ccc(-c4cccnc4)cc3Oc3c(O)cccc32)CC1
InChIInChI=1S/C26H26N2O2/c1-2-13-28-14-10-18(11-15-28)25-21-9-8-19(20-5-4-12-27-17-20)16-24(21)30-26-22(25)6-3-7-23(26)29/h2-9,12,16-18,25,29H,1,10-11,13-15H2
InChIKeyWXNIFVYMMZZTES-UHFFFAOYSA-N
XLogP5.59
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(9-piperidin-4-yl-9H-xanthen-3-yl)pyridine
CID 11624309
8-(furan-3-ylmethyl)-3-(3-pyridin-3-yl-9H-xanthen-9-yl)-8-azabicyclo[3.2.1]octane
CID 11683799
2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol
CID 45249191
3-azulen-6-ylpyridine
CID 86232079
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
(4aS,8aS)-6-[(3-pyridin-3-ylphenyl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 129378896
4-(cyclopentanecarbonyl)-1-prop-2-enyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110088291
N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine
CID 129186352
cyclopenta[c]azepine
CID 638010
3-[(E)-2-(4-pyridin-3-ylphenyl)ethenyl]-1-azabicyclo[2.2.2]octane
CID 19703121
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
1-methyl-3-(1-prop-2-enylpiperidin-4-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95614231

Frequently Asked Questions

What is the IUPAC name of 9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol?
The IUPAC name of 9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol (CID 11639888) is 9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol.
What is the SMILES notation for 9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol?
The canonical SMILES for 9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol is C=CCN1CCC(C2c3ccc(-c4cccnc4)cc3Oc3c(O)cccc32)CC1.
What is the InChIKey of 9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol?
The InChIKey is WXNIFVYMMZZTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-2-13-28-14-10-18(11-15-28)25-21-9-8-19(20-5-4-12-27-17-20)16-24(21)30-26-22(25)6-3-7-23(26)29/h2-9,12,16-18,25,29H,1,10-11,13-15H2.
What are the key properties of 9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol?
9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol has a molecular weight of 398.51 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-prop-2-enylpiperidin-4-yl)-6-pyridin-3-yl-9H-xanthen-4-ol is sourced from PubChem (CID 11639888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).