2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one

C45H52N2O8 — CID 174405292

IUPAC2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one
SMILESCCC(Oc1cccc2c1-c1c(OC)cc(OC)cc1C2=O)C1CCCNC1.COc1cc(OC)c2c(c1)C(=O)c1cccc(OCCN3CCCCC3)c1-2
InChIInChI=1S/C23H27NO4.C22H25NO4/c1-4-18(14-7-6-10-24-13-14)28-19-9-5-8-16-21(19)22-17(23(16)25)11-15(26-2)12-20(22)27-3;1-25-15-13-17-21(19(14-15)26-2)20-16(22(17)24)7-6-8-18(20)27-12-11-23-9-4-3-5-10-23/h5,8-9,11-12,14,18,24H,4,6-7,10,13H2,1-3H3;6-8,13-14H,3-5,9-12H2,1-2H3
InChIKeyHAXDOQJSXJRSIL-UHFFFAOYSA-N
MW748.92 g/mol
LogP7.85
Rot. Bonds12

About 2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one

2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one (PubChem CID 174405292) has the molecular formula C45H52N2O8 and a molecular weight of 748.92 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one.

Molecular Properties

Compound Name2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one
PubChem CID174405292
Molecular FormulaC45H52N2O8
Molecular Weight748.92 g/mol
Exact Mass748.37
IUPAC Name2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one
SMILESCCC(Oc1cccc2c1-c1c(OC)cc(OC)cc1C2=O)C1CCCNC1.COc1cc(OC)c2c(c1)C(=O)c1cccc(OCCN3CCCCC3)c1-2
InChIInChI=1S/C23H27NO4.C22H25NO4/c1-4-18(14-7-6-10-24-13-14)28-19-9-5-8-16-21(19)22-17(23(16)25)11-15(26-2)12-20(22)27-3;1-25-15-13-17-21(19(14-15)26-2)20-16(22(17)24)7-6-8-18(20)27-12-11-23-9-4-3-5-10-23/h5,8-9,11-12,14,18,24H,4,6-7,10,13H2,1-3H3;6-8,13-14H,3-5,9-12H2,1-2H3
InChIKeyHAXDOQJSXJRSIL-UHFFFAOYSA-N
XLogP7.85
TPSA104.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.92
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-methoxy-5-(2-piperidin-1-ylethoxy)-2-propylfluoren-9-one
CID 174392258
2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 162165445
4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189465
1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one
CID 70191890
2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517
1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189484
4-butoxy-2,5-bis(2-pyrrolidin-2-ylethoxy)fluoren-9-one
CID 19594842
2-butoxy-5-[3-(diethylamino)propoxy]fluoren-9-one;2-butoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 174391219
1-amino-4-butoxy-2,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70191902
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
2-ethoxy-3-[(1S)-1-[(3S)-piperidin-3-yl]propoxy]pyridine
CID 68594922
5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one
CID 70190893

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one?
The IUPAC name of 2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one (CID 174405292) is 2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one.
What is the SMILES notation for 2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one?
The canonical SMILES for 2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one is CCC(Oc1cccc2c1-c1c(OC)cc(OC)cc1C2=O)C1CCCNC1.COc1cc(OC)c2c(c1)C(=O)c1cccc(OCCN3CCCCC3)c1-2.
What is the InChIKey of 2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one?
The InChIKey is HAXDOQJSXJRSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4.C22H25NO4/c1-4-18(14-7-6-10-24-13-14)28-19-9-5-8-16-21(19)22-17(23(16)25)11-15(26-2)12-20(22)27-3;1-25-15-13-17-21(19(14-15)26-2)20-16(22(17)24)7-6-8-18(20)27-12-11-23-9-4-3-5-10-23/h5,8-9,11-12,14,18,24H,4,6-7,10,13H2,1-3H3;6-8,13-14H,3-5,9-12H2,1-2H3.
What are the key properties of 2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one?
2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one has a molecular weight of 748.92 g/mol, XLogP of 7.85, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one is sourced from PubChem (CID 174405292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).