5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one

C24H29NO3 — CID 70190893

IUPAC5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one
SMILESCCCOc1ccc2c(c1)C(=O)c1cccc(OCC(C)N3CCCCC3)c1-2
InChIInChI=1S/C24H29NO3/c1-3-14-27-18-10-11-19-21(15-18)24(26)20-8-7-9-22(23(19)20)28-16-17(2)25-12-5-4-6-13-25/h7-11,15,17H,3-6,12-14,16H2,1-2H3
InChIKeyAQRPMQIQIITIHU-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.94
Rot. Bonds7

About 5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one

5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one (PubChem CID 70190893) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one.

Molecular Properties

Compound Name5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one
PubChem CID70190893
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one
SMILESCCCOc1ccc2c(c1)C(=O)c1cccc(OCC(C)N3CCCCC3)c1-2
InChIInChI=1S/C24H29NO3/c1-3-14-27-18-10-11-19-21(15-18)24(26)20-8-7-9-22(23(19)20)28-16-17(2)25-12-5-4-6-13-25/h7-11,15,17H,3-6,12-14,16H2,1-2H3
InChIKeyAQRPMQIQIITIHU-UHFFFAOYSA-N
XLogP4.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one?
The IUPAC name of 5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one (CID 70190893) is 5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one.
What is the SMILES notation for 5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one?
The canonical SMILES for 5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one is CCCOc1ccc2c(c1)C(=O)c1cccc(OCC(C)N3CCCCC3)c1-2.
What is the InChIKey of 5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one?
The InChIKey is AQRPMQIQIITIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-3-14-27-18-10-11-19-21(15-18)24(26)20-8-7-9-22(23(19)20)28-16-17(2)25-12-5-4-6-13-25/h7-11,15,17H,3-6,12-14,16H2,1-2H3.
What are the key properties of 5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one?
5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one has a molecular weight of 379.50 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one is sourced from PubChem (CID 70190893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).