2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one

C25H31NO3 — CID 67569634

IUPAC2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one
SMILESCCCCOc1ccc2c(c1OCCCN1CCCCC1)C(=O)c1ccccc1-2
InChIInChI=1S/C25H31NO3/c1-2-3-17-28-22-13-12-20-19-10-5-6-11-21(19)24(27)23(20)25(22)29-18-9-16-26-14-7-4-8-15-26/h5-6,10-13H,2-4,7-9,14-18H2,1H3
InChIKeyXHBWAOVSQHHXMU-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.33
Rot. Bonds9

About 2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one

2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one (PubChem CID 67569634) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one.

Molecular Properties

Compound Name2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one
PubChem CID67569634
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one
SMILESCCCCOc1ccc2c(c1OCCCN1CCCCC1)C(=O)c1ccccc1-2
InChIInChI=1S/C25H31NO3/c1-2-3-17-28-22-13-12-20-19-10-5-6-11-21(19)24(27)23(20)25(22)29-18-9-16-26-14-7-4-8-15-26/h5-6,10-13H,2-4,7-9,14-18H2,1H3
InChIKeyXHBWAOVSQHHXMU-UHFFFAOYSA-N
XLogP5.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one?
The IUPAC name of 2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one (CID 67569634) is 2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one.
What is the SMILES notation for 2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one?
The canonical SMILES for 2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one is CCCCOc1ccc2c(c1OCCCN1CCCCC1)C(=O)c1ccccc1-2.
What is the InChIKey of 2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one?
The InChIKey is XHBWAOVSQHHXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c1-2-3-17-28-22-13-12-20-19-10-5-6-11-21(19)24(27)23(20)25(22)29-18-9-16-26-14-7-4-8-15-26/h5-6,10-13H,2-4,7-9,14-18H2,1H3.
What are the key properties of 2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one?
2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one has a molecular weight of 393.53 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one is sourced from PubChem (CID 67569634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).