ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate

C21H21NO2 — CID 12566009

IUPACethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H21NO2/c1-2-24-21(23)22-13-11-15(12-14-22)20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10H,2,11-14H2,1H3
InChIKeyLKXNIPPHTRNEPO-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.72
Rot. Bonds1

About ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate

ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate (PubChem CID 12566009) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate
PubChem CID12566009
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Nameethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H21NO2/c1-2-24-21(23)22-13-11-15(12-14-22)20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10H,2,11-14H2,1H3
InChIKeyLKXNIPPHTRNEPO-UHFFFAOYSA-N
XLogP4.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoren-9-ylidene-1-methyl-piperidine
CID 14119530
Ethyl 4-(2,2-diphenylethyl)-1-piperazinecarboxylate
CID 783574
Ethyl (1S)-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
CID 25178885
Methyl 4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene}piperidine-1-carboxylate
CID 491983
ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate
CID 2746154
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate
CID 162672032
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-ethyl-N-methylcarbamate
CID 162677453
Nortriptyline ethyl carbamate
CID 27766
9H-fluoren-9-ylmethyl 4-hydroxypiperidine-1-carboxylate
CID 1502083
N-FMOC-3-piperidinone
CID 1514170
(9H-fluoren-9-yl)methyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
3-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)prop-2-ynoic acid
CID 132350923

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate?
The IUPAC name of ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate (CID 12566009) is ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate is CCOC(=O)N1CCC(=C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate?
The InChIKey is LKXNIPPHTRNEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-2-24-21(23)22-13-11-15(12-14-22)20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10H,2,11-14H2,1H3.
What are the key properties of ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate?
ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoren-9-ylidenepiperidine-1-carboxylate is sourced from PubChem (CID 12566009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).