tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate

C19H28N2O3 — CID 89225394

IUPACtert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate
SMILESC=C(N)c1ccc(COC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-14(20)16-7-5-15(6-8-16)13-23-17-9-11-21(12-10-17)18(22)24-19(2,3)4/h5-8,17H,1,9-13,20H2,2-4H3
InChIKeyDRDWZLJDMOPIQO-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.53
Rot. Bonds4

About tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate

tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate (PubChem CID 89225394) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate
PubChem CID89225394
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate
SMILESC=C(N)c1ccc(COC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-14(20)16-7-5-15(6-8-16)13-23-17-9-11-21(12-10-17)18(22)24-19(2,3)4/h5-8,17H,1,9-13,20H2,2-4H3
InChIKeyDRDWZLJDMOPIQO-UHFFFAOYSA-N
XLogP3.53
TPSA64.79 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 4-(benzyloxy)piperidine-1-carboxylate
CID 11694980
benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10493956
Benzyl 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 10494947
benzyl 6-[(E)-hex-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10614116
benzyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10849879
(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate
CID 3056704
tert-butyl N-[[4-[1-(dimethylamino)ethenoxymethyl]-2-fluorophenyl]methyl]carbamate
CID 18173959
Tert-butyl 4-(4-trifluoromethylbenzyloxy)piperidine-1-carboxylate
CID 23081330
Tert-butyl 3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 57927695
Tert-butyl 4-((4-fluorobenzyl)oxy)piperidine-1-carboxylate
CID 58001990
tert-butyl (1R,5S)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 68675623
Tert-butyl 2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidine-1-carboxylate
CID 69840863

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate (CID 89225394) is tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate is C=C(N)c1ccc(COC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate?
The InChIKey is DRDWZLJDMOPIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(20)16-7-5-15(6-8-16)13-23-17-9-11-21(12-10-17)18(22)24-19(2,3)4/h5-8,17H,1,9-13,20H2,2-4H3.
What are the key properties of tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate?
tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(1-aminoethenyl)phenyl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 89225394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).