2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one

C39H58N2O3 — CID 127032425

IUPAC2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one
SMILESO=C1c2cc(OCCCCCCCCN3CCCCC3)ccc2-c2ccc(OCCCCCCCCN3CCCCC3)cc21
InChIInChI=1S/C39H58N2O3/c42-39-37-31-33(43-29-17-7-3-1-5-11-23-40-25-13-9-14-26-40)19-21-35(37)36-22-20-34(32-38(36)39)44-30-18-8-4-2-6-12-24-41-27-15-10-16-28-41/h19-22,31-32H,1-18,23-30H2
InChIKeyNSTONXYMMUEOHU-UHFFFAOYSA-N
MW602.90 g/mol
LogP9.31
Rot. Bonds20

About 2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one

2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one (PubChem CID 127032425) has the molecular formula C39H58N2O3 and a molecular weight of 602.90 g/mol. Its IUPAC name is 2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one
PubChem CID127032425
Molecular FormulaC39H58N2O3
Molecular Weight602.90 g/mol
Exact Mass602.44
IUPAC Name2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one
SMILESO=C1c2cc(OCCCCCCCCN3CCCCC3)ccc2-c2ccc(OCCCCCCCCN3CCCCC3)cc21
InChIInChI=1S/C39H58N2O3/c42-39-37-31-33(43-29-17-7-3-1-5-11-23-40-25-13-9-14-26-40)19-21-35(37)36-22-20-34(32-38(36)39)44-30-18-8-4-2-6-12-24-41-27-15-10-16-28-41/h19-22,31-32H,1-18,23-30H2
InChIKeyNSTONXYMMUEOHU-UHFFFAOYSA-N
XLogP9.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.90
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,7-bis(8-piperidin-1-yloctoxy)fluoren-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

CID 5475
CID 5475
CID 33958
CID 33958
CID 11247432
CID 11247432
CID 9868219
CID 9868219
CID 10521609
CID 10521609
CID 73346061
CID 73346061
CID 73355156
CID 73355156
CID 3015428
CID 3015428
CID 10178169
CID 10178169
CID 10227720
CID 10227720
CID 10455882
CID 10455882
CID 10521778
CID 10521778

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one?
The IUPAC name of 2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one (CID 127032425) is 2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one.
What is the SMILES notation for 2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one?
The canonical SMILES for 2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one is O=C1c2cc(OCCCCCCCCN3CCCCC3)ccc2-c2ccc(OCCCCCCCCN3CCCCC3)cc21.
What is the InChIKey of 2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one?
The InChIKey is NSTONXYMMUEOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H58N2O3/c42-39-37-31-33(43-29-17-7-3-1-5-11-23-40-25-13-9-14-26-40)19-21-35(37)36-22-20-34(32-38(36)39)44-30-18-8-4-2-6-12-24-41-27-15-10-16-28-41/h19-22,31-32H,1-18,23-30H2.
What are the key properties of 2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one?
2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one has a molecular weight of 602.90 g/mol, XLogP of 9.31, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(8-piperidin-1-yloctoxy)fluoren-9-one is sourced from PubChem (CID 127032425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).