1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one

C27H34N2O4 — CID 54365368

IUPAC1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one
SMILESO=c1c2ccc(OCCN3CCCCC3)cc2oc2cccc(OCCN3CCCCC3)c12
InChIInChI=1S/C27H34N2O4/c30-27-22-11-10-21(31-18-16-28-12-3-1-4-13-28)20-25(22)33-24-9-7-8-23(26(24)27)32-19-17-29-14-5-2-6-15-29/h7-11,20H,1-6,12-19H2
InChIKeyUPKHBZMCFPKSAH-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.68
Rot. Bonds8

About 1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one

1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one (PubChem CID 54365368) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one.

Molecular Properties

Compound Name1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one
PubChem CID54365368
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one
SMILESO=c1c2ccc(OCCN3CCCCC3)cc2oc2cccc(OCCN3CCCCC3)c12
InChIInChI=1S/C27H34N2O4/c30-27-22-11-10-21(31-18-16-28-12-3-1-4-13-28)20-25(22)33-24-9-7-8-23(26(24)27)32-19-17-29-14-5-2-6-15-29/h7-11,20H,1-6,12-19H2
InChIKeyUPKHBZMCFPKSAH-UHFFFAOYSA-N
XLogP4.68
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[7-[2-(azetidin-1-yl)ethoxy]dibenzofuran-3-yl]oxyethyl]azetidine
CID 57439372
2,6-bis(3-piperidin-1-ylpropoxy)xanthen-9-one
CID 57439571
3-phenyl-7-(2-piperidin-1-ylethoxy)-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
CID 71817959
3-(3-piperazin-1-ylpropoxy)xanthen-9-one
CID 52915988
4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
CID 71818110
6-chloro-2-(6-piperidin-1-ylhexoxy)xanthen-9-one
CID 162675540
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 147416054
1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine
CID 57439391
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
2-(3,4-dimethoxyphenyl)-7-(8-pyrrolidin-1-yloctoxy)chromen-4-one
CID 127036654
4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one
CID 135259640

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one?
The IUPAC name of 1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one (CID 54365368) is 1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one.
What is the SMILES notation for 1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one?
The canonical SMILES for 1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one is O=c1c2ccc(OCCN3CCCCC3)cc2oc2cccc(OCCN3CCCCC3)c12.
What is the InChIKey of 1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one?
The InChIKey is UPKHBZMCFPKSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c30-27-22-11-10-21(31-18-16-28-12-3-1-4-13-28)20-25(22)33-24-9-7-8-23(26(24)27)32-19-17-29-14-5-2-6-15-29/h7-11,20H,1-6,12-19H2.
What are the key properties of 1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one?
1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one has a molecular weight of 450.58 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one is sourced from PubChem (CID 54365368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).