1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid

C21H21NO4 — CID 2736490

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H21NO4/c23-20(24)14-9-11-22(12-10-14)21(25)26-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24)
InChIKeyOJYOOHSQOIDDOO-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.73
Rot. Bonds3

About 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid

1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid (PubChem CID 2736490) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
PubChem CID2736490
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H21NO4/c23-20(24)14-9-11-22(12-10-14)21(25)26-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24)
InChIKeyOJYOOHSQOIDDOO-UHFFFAOYSA-N
XLogP3.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid (CID 2736490) is 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The InChIKey is OJYOOHSQOIDDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c23-20(24)14-9-11-22(12-10-14)21(25)26-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid has a molecular weight of 351.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 2736490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).