tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate

C16H30N2O2 — CID 115697485

IUPACtert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate
SMILESC/C=C/CCNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-5-6-7-10-17-13-14-8-11-18(12-9-14)15(19)20-16(2,3)4/h5-6,14,17H,7-13H2,1-4H3/b6-5+
InChIKeyAPEVTAUKXPEGRY-AATRIKPKSA-N
MW282.43 g/mol
LogP3.19
Rot. Bonds5

About tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 115697485) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate
PubChem CID115697485
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate
SMILESC/C=C/CCNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-5-6-7-10-17-13-14-8-11-18(12-9-14)15(19)20-16(2,3)4/h5-6,14,17H,7-13H2,1-4H3/b6-5+
InChIKeyAPEVTAUKXPEGRY-AATRIKPKSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate (CID 115697485) is tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate is C/C=C/CCNCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is APEVTAUKXPEGRY-AATRIKPKSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-6-7-10-17-13-14-8-11-18(12-9-14)15(19)20-16(2,3)4/h5-6,14,17H,7-13H2,1-4H3/b6-5+.
What are the key properties of tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[(E)-pent-3-enyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 115697485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).