2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid

C19H20N2O2 — CID 174210652

IUPAC2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNCC1CC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20N2O2/c22-19(23)21-10-9-20-12-13(21)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,20H,9-12H2,(H,22,23)
InChIKeyCJNGPHQYPUFLIT-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.14
Rot. Bonds2

About 2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid

2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid (PubChem CID 174210652) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid
PubChem CID174210652
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNCC1CC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20N2O2/c22-19(23)21-10-9-20-12-13(21)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,20H,9-12H2,(H,22,23)
InChIKeyCJNGPHQYPUFLIT-UHFFFAOYSA-N
XLogP3.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649453
(2R)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649395
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
CID 25265687
1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone
CID 113415473
2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid
CID 22629585
2-[[2-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]methyl]piperazine-1-carboxylic acid
CID 69171777
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
(2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid
CID 175159453
benzyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072579
(2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 82247957
(2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 76587190

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid (CID 174210652) is 2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid is O=C(O)N1CCNCC1CC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid?
The InChIKey is CJNGPHQYPUFLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-19(23)21-10-9-20-12-13(21)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,20H,9-12H2,(H,22,23).
What are the key properties of 2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid?
2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 174210652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).