3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one

C25H30N2O3 — CID 19594865

IUPAC3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one
SMILESO=C1c2ccc(OCN3CCCCC3)cc2-c2c(OCN3CCCCC3)cccc21
InChIInChI=1S/C25H30N2O3/c28-25-20-11-10-19(29-17-26-12-3-1-4-13-26)16-22(20)24-21(25)8-7-9-23(24)30-18-27-14-5-2-6-15-27/h7-11,16H,1-6,12-15,17-18H2
InChIKeyXSOZHGGNMLIQTC-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.54
Rot. Bonds6

About 3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one

3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one (PubChem CID 19594865) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one.

Molecular Properties

Compound Name3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one
PubChem CID19594865
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one
SMILESO=C1c2ccc(OCN3CCCCC3)cc2-c2c(OCN3CCCCC3)cccc21
InChIInChI=1S/C25H30N2O3/c28-25-20-11-10-19(29-17-26-12-3-1-4-13-26)16-22(20)24-21(25)8-7-9-23(24)30-18-27-14-5-2-6-15-27/h7-11,16H,1-6,12-15,17-18H2
InChIKeyXSOZHGGNMLIQTC-UHFFFAOYSA-N
XLogP4.54
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one
CID 70190893
2-butoxy-5-[3-(diethylamino)propoxy]fluoren-9-one;2-butoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 174391219
1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189484
3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one
CID 19594761
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
3,5-bis[4-(diethylamino)butoxy]fluoren-9-one
CID 19594755
4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189465
4-methoxy-5-(2-piperidin-1-ylethoxy)-2-propylfluoren-9-one
CID 174392258
1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one
CID 70191890
1-amino-4-butoxy-2,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70191902

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one?
The IUPAC name of 3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one (CID 19594865) is 3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one.
What is the SMILES notation for 3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one?
The canonical SMILES for 3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one is O=C1c2ccc(OCN3CCCCC3)cc2-c2c(OCN3CCCCC3)cccc21.
What is the InChIKey of 3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one?
The InChIKey is XSOZHGGNMLIQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-25-20-11-10-19(29-17-26-12-3-1-4-13-26)16-22(20)24-21(25)8-7-9-23(24)30-18-27-14-5-2-6-15-27/h7-11,16H,1-6,12-15,17-18H2.
What are the key properties of 3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one?
3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one has a molecular weight of 406.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one is sourced from PubChem (CID 19594865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).