1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid

C21H21NO4 — CID 3790985

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO4/c23-20(24)19-11-5-6-12-22(19)21(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,23,24)
InChIKeyCKLAZLINARHOTG-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.87
Rot. Bonds3

About 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid

1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid (PubChem CID 3790985) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid
PubChem CID3790985
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO4/c23-20(24)19-11-5-6-12-22(19)21(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,23,24)
InChIKeyCKLAZLINARHOTG-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
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-2-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid (CID 3790985) is 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid?
The InChIKey is CKLAZLINARHOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c23-20(24)19-11-5-6-12-22(19)21(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,23,24).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid has a molecular weight of 351.40 g/mol, XLogP of 3.87, 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-2-carboxylic acid is sourced from PubChem (CID 3790985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).