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

C27H34N2O3 — CID 1111363

IUPAC2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one
SMILESO=C1c2cc(OCCN3CCCCC3)ccc2-c2ccc(OCCN3CCCCC3)cc21
InChIInChI=1S/C27H34N2O3/c30-27-25-19-21(31-17-15-28-11-3-1-4-12-28)7-9-23(25)24-10-8-22(20-26(24)27)32-18-16-29-13-5-2-6-14-29/h7-10,19-20H,1-6,11-18H2
InChIKeyWECMFRPBWSBCEU-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.63
Rot. Bonds8

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

2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one (PubChem CID 1111363) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one
PubChem CID1111363
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one
SMILESO=C1c2cc(OCCN3CCCCC3)ccc2-c2ccc(OCCN3CCCCC3)cc21
InChIInChI=1S/C27H34N2O3/c30-27-25-19-21(31-17-15-28-11-3-1-4-12-28)7-9-23(25)24-10-8-22(20-26(24)27)32-18-16-29-13-5-2-6-14-29/h7-10,19-20H,1-6,11-18H2
InChIKeyWECMFRPBWSBCEU-UHFFFAOYSA-N
XLogP4.63
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one?
The IUPAC name of 2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one (CID 1111363) is 2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one.
What is the SMILES notation for 2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one?
The canonical SMILES for 2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one is O=C1c2cc(OCCN3CCCCC3)ccc2-c2ccc(OCCN3CCCCC3)cc21.
What is the InChIKey of 2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one?
The InChIKey is WECMFRPBWSBCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c30-27-25-19-21(31-17-15-28-11-3-1-4-12-28)7-9-23(25)24-10-8-22(20-26(24)27)32-18-16-29-13-5-2-6-14-29/h7-10,19-20H,1-6,11-18H2.
What are the key properties of 2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one?
2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one has a molecular weight of 434.58 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2-piperidin-1-ylethoxy)fluoren-9-one is sourced from PubChem (CID 1111363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).