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

C21H24N2O2 — CID 40515300

IUPACethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H24N2O2/c1-2-25-21(24)23-13-11-15(12-14-23)22-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20,22H,2,11-14H2,1H3
InChIKeyNUSMMSOYRFEEAI-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.97
Rot. Bonds3

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

ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate (PubChem CID 40515300) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate
PubChem CID40515300
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Nameethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H24N2O2/c1-2-25-21(24)23-13-11-15(12-14-23)22-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20,22H,2,11-14H2,1H3
InChIKeyNUSMMSOYRFEEAI-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate
CID 99939190
ethane;ethyl N-(benzenecarbonothioyl)carbamate;9H-fluoren-9-ylmethyl 4-hydrazinylpiperidine-1-carboxylate
CID 123437476
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CID 24644255
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]piperidine-1-carboxylate
CID 55349281
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
CID 81318643
ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate
CID 110648883

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate (CID 40515300) is ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate?
The InChIKey is NUSMMSOYRFEEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-25-21(24)23-13-11-15(12-14-23)22-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20,22H,2,11-14H2,1H3.
What are the key properties of ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate?
ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 40515300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).