tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate

C19H28N2O3 — CID 171103346

IUPACtert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate
SMILESC=Cc1c(NC2CCN(C(=O)OC(C)(C)C)CC2)cccc1OC
InChIInChI=1S/C19H28N2O3/c1-6-15-16(8-7-9-17(15)23-5)20-14-10-12-21(13-11-14)18(22)24-19(2,3)4/h6-9,14,20H,1,10-13H2,2-5H3
InChIKeyDBYISVPRUVWEII-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.15
Rot. Bonds4

About tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate

tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate (PubChem CID 171103346) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate
PubChem CID171103346
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate
SMILESC=Cc1c(NC2CCN(C(=O)OC(C)(C)C)CC2)cccc1OC
InChIInChI=1S/C19H28N2O3/c1-6-15-16(8-7-9-17(15)23-5)20-14-10-12-21(13-11-14)18(22)24-19(2,3)4/h6-9,14,20H,1,10-13H2,2-5H3
InChIKeyDBYISVPRUVWEII-UHFFFAOYSA-N
XLogP4.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-amino-3-methoxycarbonylanilino)piperidine-1-carboxylate
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tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
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tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
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2-fluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
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tert-butyl 4-[2-ethenyl-3-(methylamino)phenyl]piperazine-1-carboxylate
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tert-butyl 4-[(2-bromo-3-methoxybenzoyl)amino]piperidine-1-carboxylate
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tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
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tert-butyl 4-(3-fluoro-2-pyrrolidin-1-ylanilino)piperidine-1-carboxylate
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tert-butyl 4-(3-methoxyanilino)azepane-1-carboxylate
CID 103980589
ethyl 4-(3-methoxy-2-nitroanilino)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate (CID 171103346) is tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate is C=Cc1c(NC2CCN(C(=O)OC(C)(C)C)CC2)cccc1OC.
What is the InChIKey of tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate?
The InChIKey is DBYISVPRUVWEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-6-15-16(8-7-9-17(15)23-5)20-14-10-12-21(13-11-14)18(22)24-19(2,3)4/h6-9,14,20H,1,10-13H2,2-5H3.
What are the key properties of tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate?
tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate is sourced from PubChem (CID 171103346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).