9-(1-methylpiperidin-4-yl)xanthen-9-ol

C19H21NO2 — CID 14175791

IUPAC9-(1-methylpiperidin-4-yl)xanthen-9-ol
SMILESCN1CCC(C2(O)c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C19H21NO2/c1-20-12-10-14(11-13-20)19(21)15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,14,21H,10-13H2,1H3
InChIKeyPPEMMIHFUFWQCF-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.37
Rot. Bonds1

About 9-(1-methylpiperidin-4-yl)xanthen-9-ol

9-(1-methylpiperidin-4-yl)xanthen-9-ol (PubChem CID 14175791) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 9-(1-methylpiperidin-4-yl)xanthen-9-ol.

Molecular Properties

Compound Name9-(1-methylpiperidin-4-yl)xanthen-9-ol
PubChem CID14175791
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name9-(1-methylpiperidin-4-yl)xanthen-9-ol
SMILESCN1CCC(C2(O)c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C19H21NO2/c1-20-12-10-14(11-13-20)19(21)15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,14,21H,10-13H2,1H3
InChIKeyPPEMMIHFUFWQCF-UHFFFAOYSA-N
XLogP3.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(1-methylpiperidin-4-yl)xanthen-9-ol?
The IUPAC name of 9-(1-methylpiperidin-4-yl)xanthen-9-ol (CID 14175791) is 9-(1-methylpiperidin-4-yl)xanthen-9-ol.
What is the SMILES notation for 9-(1-methylpiperidin-4-yl)xanthen-9-ol?
The canonical SMILES for 9-(1-methylpiperidin-4-yl)xanthen-9-ol is CN1CCC(C2(O)c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of 9-(1-methylpiperidin-4-yl)xanthen-9-ol?
The InChIKey is PPEMMIHFUFWQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20-12-10-14(11-13-20)19(21)15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,14,21H,10-13H2,1H3.
What are the key properties of 9-(1-methylpiperidin-4-yl)xanthen-9-ol?
9-(1-methylpiperidin-4-yl)xanthen-9-ol has a molecular weight of 295.38 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylpiperidin-4-yl)xanthen-9-ol is sourced from PubChem (CID 14175791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).