1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one

C30H40N2O4 — CID 19594763

IUPAC1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one
SMILESCCCOc1ccc(OC(C)C2CCCCN2)c2c1-c1c(OC(C)C3CCCCN3)cccc1C2=O
InChIInChI=1S/C30H40N2O4/c1-4-18-34-24-14-15-26(36-20(3)23-12-6-8-17-32-23)29-28(24)27-21(30(29)33)10-9-13-25(27)35-19(2)22-11-5-7-16-31-22/h9-10,13-15,19-20,22-23,31-32H,4-8,11-12,16-18H2,1-3H3
InChIKeyQOVHAAJTHUWZSM-UHFFFAOYSA-N
MW492.66 g/mol
LogP5.51
Rot. Bonds9

About 1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one

1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one (PubChem CID 19594763) has the molecular formula C30H40N2O4 and a molecular weight of 492.66 g/mol. Its IUPAC name is 1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one.

Molecular Properties

Compound Name1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one
PubChem CID19594763
Molecular FormulaC30H40N2O4
Molecular Weight492.66 g/mol
Exact Mass492.30
IUPAC Name1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one
SMILESCCCOc1ccc(OC(C)C2CCCCN2)c2c1-c1c(OC(C)C3CCCCN3)cccc1C2=O
InChIInChI=1S/C30H40N2O4/c1-4-18-34-24-14-15-26(36-20(3)23-12-6-8-17-32-23)29-28(24)27-21(30(29)33)10-9-13-25(27)35-19(2)22-11-5-7-16-31-22/h9-10,13-15,19-20,22-23,31-32H,4-8,11-12,16-18H2,1-3H3
InChIKeyQOVHAAJTHUWZSM-UHFFFAOYSA-N
XLogP5.51
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one?
The IUPAC name of 1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one (CID 19594763) is 1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one.
What is the SMILES notation for 1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one?
The canonical SMILES for 1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one is CCCOc1ccc(OC(C)C2CCCCN2)c2c1-c1c(OC(C)C3CCCCN3)cccc1C2=O.
What is the InChIKey of 1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one?
The InChIKey is QOVHAAJTHUWZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O4/c1-4-18-34-24-14-15-26(36-20(3)23-12-6-8-17-32-23)29-28(24)27-21(30(29)33)10-9-13-25(27)35-19(2)22-11-5-7-16-31-22/h9-10,13-15,19-20,22-23,31-32H,4-8,11-12,16-18H2,1-3H3.
What are the key properties of 1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one?
1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one has a molecular weight of 492.66 g/mol, XLogP of 5.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one is sourced from PubChem (CID 19594763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).