2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one

C25H31NO3 — CID 70191517

IUPAC2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
SMILESCCCCOc1ccc2c(c1)C(=O)c1cccc(OCCCN3CCCCC3)c1-2
InChIInChI=1S/C25H31NO3/c1-2-3-16-28-19-11-12-20-22(18-19)25(27)21-9-7-10-23(24(20)21)29-17-8-15-26-13-5-4-6-14-26/h7,9-12,18H,2-6,8,13-17H2,1H3
InChIKeyFBTNCKHFBGLRSR-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.33
Rot. Bonds9

About 2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one

2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one (PubChem CID 70191517) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one.

Molecular Properties

Compound Name2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
PubChem CID70191517
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
SMILESCCCCOc1ccc2c(c1)C(=O)c1cccc(OCCCN3CCCCC3)c1-2
InChIInChI=1S/C25H31NO3/c1-2-3-16-28-19-11-12-20-22(18-19)25(27)21-9-7-10-23(24(20)21)29-17-8-15-26-13-5-4-6-14-26/h7,9-12,18H,2-6,8,13-17H2,1H3
InChIKeyFBTNCKHFBGLRSR-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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Related Compounds

2-butoxy-5-[3-(diethylamino)propoxy]fluoren-9-one;2-butoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 174391219
5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one
CID 70190893
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
4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189465
3,5-bis(piperidin-1-ylmethoxy)fluoren-9-one
CID 19594865
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
1-amino-4-butoxy-2,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70191902
2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 67569634
4-methoxy-5-(2-piperidin-1-ylethoxy)-2-propylfluoren-9-one
CID 174392258
1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189484
2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one
CID 67570590
4-butoxy-2,5-bis(2-pyrrolidin-2-ylethoxy)fluoren-9-one
CID 19594842

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one?
The IUPAC name of 2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one (CID 70191517) is 2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one.
What is the SMILES notation for 2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one?
The canonical SMILES for 2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one is CCCCOc1ccc2c(c1)C(=O)c1cccc(OCCCN3CCCCC3)c1-2.
What is the InChIKey of 2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one?
The InChIKey is FBTNCKHFBGLRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c1-2-3-16-28-19-11-12-20-22(18-19)25(27)21-9-7-10-23(24(20)21)29-17-8-15-26-13-5-4-6-14-26/h7,9-12,18H,2-6,8,13-17H2,1H3.
What are the key properties of 2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one?
2-butoxy-5-(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-5-(3-piperidin-1-ylpropoxy)fluoren-9-one is sourced from PubChem (CID 70191517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).