tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate

C25H31N3O4 — CID 143674727

IUPACtert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate
SMILESCC(C)(C)OC(N)=O.[H]N=C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C20H20N2O2.C5H11NO2/c21-14-9-11-22(12-10-14)20(23)24-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;1-5(2,3)8-4(6)7/h1-8,19,21H,9-13H2;1-3H3,(H2,6,7)
InChIKeyRNLQJPZIFPYVIM-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.93
Rot. Bonds2

About tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate

tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate (PubChem CID 143674727) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate
PubChem CID143674727
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Nametert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate
SMILESCC(C)(C)OC(N)=O.[H]N=C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C20H20N2O2.C5H11NO2/c21-14-9-11-22(12-10-14)20(23)24-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;1-5(2,3)8-4(6)7/h1-8,19,21H,9-13H2;1-3H3,(H2,6,7)
InChIKeyRNLQJPZIFPYVIM-UHFFFAOYSA-N
XLogP4.93
TPSA105.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
(2S)-2-amino-2-[[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 139211173
(3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 59904204
9H-fluoren-9-ylmethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 124585179
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]imidazolidine-2-carboxylic acid
CID 2756149
9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate
CID 147927240
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]propanoic acid
CID 63310757
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
ethyl 4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate
CID 66854441
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate?
The IUPAC name of tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate (CID 143674727) is tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate is CC(C)(C)OC(N)=O.[H]N=C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate?
The InChIKey is RNLQJPZIFPYVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2.C5H11NO2/c21-14-9-11-22(12-10-14)20(23)24-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;1-5(2,3)8-4(6)7/h1-8,19,21H,9-13H2;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate?
tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate has a molecular weight of 437.54 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate is sourced from PubChem (CID 143674727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).