1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one

C28H37N3O4 — CID 70191890

IUPAC1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one
SMILESCOc1cc(OCCN2CCCCC2)c(N)c2c1-c1c(OCCN3CCCCC3)cccc1C2=O
InChIInChI=1S/C28H37N3O4/c1-33-22-19-23(35-18-16-31-13-6-3-7-14-31)27(29)26-25(22)24-20(28(26)32)9-8-10-21(24)34-17-15-30-11-4-2-5-12-30/h8-10,19H,2-7,11-18,29H2,1H3
InChIKeyQZIRBDSIILCNHS-UHFFFAOYSA-N
MW479.62 g/mol
LogP4.22
Rot. Bonds9

About 1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one

1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one (PubChem CID 70191890) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is 1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one.

Molecular Properties

Compound Name1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one
PubChem CID70191890
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC Name1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one
SMILESCOc1cc(OCCN2CCCCC2)c(N)c2c1-c1c(OCCN3CCCCC3)cccc1C2=O
InChIInChI=1S/C28H37N3O4/c1-33-22-19-23(35-18-16-31-13-6-3-7-14-31)27(29)26-25(22)24-20(28(26)32)9-8-10-21(24)34-17-15-30-11-4-2-5-12-30/h8-10,19H,2-7,11-18,29H2,1H3
InChIKeyQZIRBDSIILCNHS-UHFFFAOYSA-N
XLogP4.22
TPSA77.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-amino-4-butoxy-2,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70191902
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-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 162165445
1-amino-4-butoxy-2,5-bis(2-pyrrolidin-2-ylethoxy)fluoren-9-one
CID 19594671
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594651
4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189465
2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one
CID 174405292
2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one?
The IUPAC name of 1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one (CID 70191890) is 1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one.
What is the SMILES notation for 1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one?
The canonical SMILES for 1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one is COc1cc(OCCN2CCCCC2)c(N)c2c1-c1c(OCCN3CCCCC3)cccc1C2=O.
What is the InChIKey of 1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one?
The InChIKey is QZIRBDSIILCNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-33-22-19-23(35-18-16-31-13-6-3-7-14-31)27(29)26-25(22)24-20(28(26)32)9-8-10-21(24)34-17-15-30-11-4-2-5-12-30/h8-10,19H,2-7,11-18,29H2,1H3.
What are the key properties of 1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one?
1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one has a molecular weight of 479.62 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one is sourced from PubChem (CID 70191890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).