2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one

C29H38N2O5 — CID 71698782

IUPAC2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one
SMILESO=C1c2cc(OCC(O)CN3CCCCC3)ccc2-c2ccc(OCC(O)CN3CCCCC3)cc21
InChIInChI=1S/C29H38N2O5/c32-21(17-30-11-3-1-4-12-30)19-35-23-7-9-25-26-10-8-24(16-28(26)29(34)27(25)15-23)36-20-22(33)18-31-13-5-2-6-14-31/h7-10,15-16,21-22,32-33H,1-6,11-14,17-20H2
InChIKeyAYLRLFLBKHFFEE-UHFFFAOYSA-N
MW494.63 g/mol
LogP3.35
Rot. Bonds10

About 2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one

2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one (PubChem CID 71698782) has the molecular formula C29H38N2O5 and a molecular weight of 494.63 g/mol. Its IUPAC name is 2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one
PubChem CID71698782
Molecular FormulaC29H38N2O5
Molecular Weight494.63 g/mol
Exact Mass494.28
IUPAC Name2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one
SMILESO=C1c2cc(OCC(O)CN3CCCCC3)ccc2-c2ccc(OCC(O)CN3CCCCC3)cc21
InChIInChI=1S/C29H38N2O5/c32-21(17-30-11-3-1-4-12-30)19-35-23-7-9-25-26-10-8-24(16-28(26)29(34)27(25)15-23)36-20-22(33)18-31-13-5-2-6-14-31/h7-10,15-16,21-22,32-33H,1-6,11-14,17-20H2
InChIKeyAYLRLFLBKHFFEE-UHFFFAOYSA-N
XLogP3.35
TPSA82.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one?
The IUPAC name of 2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one (CID 71698782) is 2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one.
What is the SMILES notation for 2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one?
The canonical SMILES for 2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one is O=C1c2cc(OCC(O)CN3CCCCC3)ccc2-c2ccc(OCC(O)CN3CCCCC3)cc21.
What is the InChIKey of 2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one?
The InChIKey is AYLRLFLBKHFFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O5/c32-21(17-30-11-3-1-4-12-30)19-35-23-7-9-25-26-10-8-24(16-28(26)29(34)27(25)15-23)36-20-22(33)18-31-13-5-2-6-14-31/h7-10,15-16,21-22,32-33H,1-6,11-14,17-20H2.
What are the key properties of 2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one?
2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one has a molecular weight of 494.63 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one is sourced from PubChem (CID 71698782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).