ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate

C21H23NO2 — CID 2459261

IUPACethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H23NO2/c1-2-24-21(23)15-11-13-22(14-12-15)20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20H,2,11-14H2,1H3
InChIKeyOORFILPJVVLUKZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.03
Rot. Bonds3

About ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate

ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate (PubChem CID 2459261) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate
PubChem CID2459261
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Nameethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H23NO2/c1-2-24-21(23)15-11-13-22(14-12-15)20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20H,2,11-14H2,1H3
InChIKeyOORFILPJVVLUKZ-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(4-biphenylylmethyl)-4-piperidinecarboxylate
CID 765234
Ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate
CID 765394
ethyl 4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinecarboxylate
CID 16187646
ethyl 1-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 16192150
Ethyl 1-(2-methylbenzyl)-4-piperidinecarboxylate
CID 764682
4-(9H-fluoren-9-yl)morpholine
CID 224093
ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate
CID 2746154
isopropyl [4-(9H-fluoren-9-yl)piperazin-1-yl]acetate
CID 3238233
Methyl 1-[bis(4-fluorophenyl)methyl]piperidine-4-carboxylate
CID 4782335
Methyl 3-[5-(3-methylphenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-9-yl]propanoate
CID 44825880
4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanoic acid
CID 2814973
Methyl 1-(1-phenylcyclohexyl)piperidine-4-carboxylate
CID 44364316

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate (CID 2459261) is ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate?
The InChIKey is OORFILPJVVLUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-2-24-21(23)15-11-13-22(14-12-15)20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20H,2,11-14H2,1H3.
What are the key properties of ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate?
ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate is sourced from PubChem (CID 2459261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).