methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate

C20H21NO2 — CID 23151716

IUPACmethyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C1(CCN(C)CC1)c1ccccc1-2
InChIInChI=1S/C20H21NO2/c1-21-11-9-20(10-12-21)17-6-4-3-5-15(17)16-8-7-14(13-18(16)20)19(22)23-2/h3-8,13H,9-12H2,1-2H3
InChIKeyQJHPUXULKPWBFP-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.47
Rot. Bonds1

About methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate

methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate (PubChem CID 23151716) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate.

Molecular Properties

Compound Namemethyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate
PubChem CID23151716
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Namemethyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C1(CCN(C)CC1)c1ccccc1-2
InChIInChI=1S/C20H21NO2/c1-21-11-9-20(10-12-21)17-6-4-3-5-15(17)16-8-7-14(13-18(16)20)19(22)23-2/h3-8,13H,9-12H2,1-2H3
InChIKeyQJHPUXULKPWBFP-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate
CID 634796
1',2-dimethylspiro[fluorene-9,3'-pyrrolidine]
CID 59757185
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
ethane;methyl 3-[4-[4-(dimethylcarbamoyl)phenyl]-1-methylpiperidin-4-yl]benzoate
CID 90914269
methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate
CID 59492606
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436
methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711
methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate
CID 141037893
methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate
CID 24766142
methyl 9H-carbazole-2-carboxylate;1-methylpyrrolidine
CID 143732942
methyl 3-(4-methylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041699
methyl phenazine-2-carboxylate
CID 617185

Frequently Asked Questions

What is the IUPAC name of methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate?
The IUPAC name of methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate (CID 23151716) is methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate.
What is the SMILES notation for methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate?
The canonical SMILES for methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate is COC(=O)c1ccc2c(c1)C1(CCN(C)CC1)c1ccccc1-2.
What is the InChIKey of methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate?
The InChIKey is QJHPUXULKPWBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-21-11-9-20(10-12-21)17-6-4-3-5-15(17)16-8-7-14(13-18(16)20)19(22)23-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate?
methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate is sourced from PubChem (CID 23151716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).