2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid

C21H22N2O4 — CID 2814974

IUPAC2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H22N2O4/c24-19(13-27-14-20(25)26)22-9-11-23(12-10-22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,21H,9-14H2,(H,25,26)
InChIKeyHOLCNOGKKORZNI-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.00
Rot. Bonds5

About 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid

2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid (PubChem CID 2814974) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid
PubChem CID2814974
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H22N2O4/c24-19(13-27-14-20(25)26)22-9-11-23(12-10-22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,21H,9-14H2,(H,25,26)
InChIKeyHOLCNOGKKORZNI-UHFFFAOYSA-N
XLogP2.00
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid (CID 2814974) is 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The InChIKey is HOLCNOGKKORZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-19(13-27-14-20(25)26)22-9-11-23(12-10-22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,21H,9-14H2,(H,25,26).
What are the key properties of 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid has a molecular weight of 366.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 2814974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).