tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate

C14H26N2O2 — CID 126844516

IUPACtert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(/C=C/CCN)C1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-10-6-8-12(11-16)7-4-5-9-15/h4,7,12H,5-6,8-11,15H2,1-3H3/b7-4+
InChIKeyYDHYIZAHHYRJIK-QPJJXVBHSA-N
MW254.37 g/mol
LogP2.54
Rot. Bonds3

About tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate

tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate (PubChem CID 126844516) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate
PubChem CID126844516
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(/C=C/CCN)C1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-10-6-8-12(11-16)7-4-5-9-15/h4,7,12H,5-6,8-11,15H2,1-3H3/b7-4+
InChIKeyYDHYIZAHHYRJIK-QPJJXVBHSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[(E)-3-amino-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 170876820
tert-butyl (3S)-3-(2-methoxyethenyl)piperidine-1-carboxylate
CID 164591882
(E)-3-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]prop-2-enoic acid
CID 95386838
tert-butyl 3-[(E)-2-nitroethenyl]piperidine-1-carboxylate
CID 156595712
tert-butyl 2-[(E)-4-aminobut-1-enyl]pyrrolidine-1-carboxylate
CID 126844522
(2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid
CID 115051751
tert-butyl 3-(2,2-dibromoethenyl)piperidine-1-carboxylate
CID 86615128
tert-butyl 3-[3-(4-phenylphenyl)prop-1-enyl]piperidine-1-carboxylate
CID 155930005
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate
CID 66563853
tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate
CID 68857542
tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate (CID 126844516) is tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(/C=C/CCN)C1.
What is the InChIKey of tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate?
The InChIKey is YDHYIZAHHYRJIK-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-10-6-8-12(11-16)7-4-5-9-15/h4,7,12H,5-6,8-11,15H2,1-3H3/b7-4+.
What are the key properties of tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate?
tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 126844516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).