6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one

C25H30ClNO3 — CID 162672072

IUPAC6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one
SMILESCC1CCCN(CCCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1
InChIInChI=1S/C25H30ClNO3/c1-18-7-6-13-27(17-18)12-4-2-3-5-14-29-20-9-11-23-22(16-20)25(28)21-10-8-19(26)15-24(21)30-23/h8-11,15-16,18H,2-7,12-14,17H2,1H3
InChIKeyPKMVAJLTTZJPKV-UHFFFAOYSA-N
MW427.97 g/mol
LogP6.27
Rot. Bonds8

About 6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one

6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one (PubChem CID 162672072) has the molecular formula C25H30ClNO3 and a molecular weight of 427.97 g/mol. Its IUPAC name is 6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one.

Molecular Properties

Compound Name6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one
PubChem CID162672072
Molecular FormulaC25H30ClNO3
Molecular Weight427.97 g/mol
Exact Mass427.19
IUPAC Name6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one
SMILESCC1CCCN(CCCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1
InChIInChI=1S/C25H30ClNO3/c1-18-7-6-13-27(17-18)12-4-2-3-5-14-29-20-9-11-23-22(16-20)25(28)21-10-8-19(26)15-24(21)30-23/h8-11,15-16,18H,2-7,12-14,17H2,1H3
InChIKeyPKMVAJLTTZJPKV-UHFFFAOYSA-N
XLogP6.27
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.97
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]xanthen-9-one
CID 11186314
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]xanthen-9-one
CID 11461396
6-(4-Dimethylamino-butoxy)-2-phenyl-chromen-4-one
CID 14982951
6-(5-Dimethylamino-pentyloxy)-2-phenyl-chromen-4-one
CID 14982952
6-(6-Dimethylamino-hexyloxy)-2-phenyl-chromen-4-one
CID 14982953
6-(7-Dimethylamino-heptyloxy)-2-phenyl-chromen-4-one
CID 14982954
6-(8-Dimethylamino-octyloxy)-2-phenyl-chromen-4-one
CID 14982955
6-(9-Dimethylamino-nonyloxy)-2-phenyl-chromen-4-one
CID 14982956
6-(10-Dimethylamino-decyloxy)-2-phenyl-chromen-4-one
CID 14982957
2-Phenyl-6-(6-piperidin-1-yl-hexyloxy)-chromen-4-one
CID 14982965
6-[6-(4-Methyl-piperidin-1-yl)-hexyloxy]-2-phenyl-chromen-4-one
CID 14982968
6-(6-Diethylamino-hexyloxy)-2-phenyl-chromen-4-one
CID 14982970

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one?
The IUPAC name of 6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one (CID 162672072) is 6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one.
What is the SMILES notation for 6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one?
The canonical SMILES for 6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one is CC1CCCN(CCCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1.
What is the InChIKey of 6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one?
The InChIKey is PKMVAJLTTZJPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClNO3/c1-18-7-6-13-27(17-18)12-4-2-3-5-14-29-20-9-11-23-22(16-20)25(28)21-10-8-19(26)15-24(21)30-23/h8-11,15-16,18H,2-7,12-14,17H2,1H3.
What are the key properties of 6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one?
6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one has a molecular weight of 427.97 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one is sourced from PubChem (CID 162672072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).