tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate

C13H24N2O2 — CID 54530914

IUPACtert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate
SMILESC=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CN
InChIInChI=1S/C13H24N2O2/c1-5-10-9-15(7-6-11(10)8-14)12(16)17-13(2,3)4/h5,10-11H,1,6-9,14H2,2-4H3/t10-,11-/m0/s1
InChIKeyYWLQPZKKBQNRQS-QWRGUYRKSA-N
MW240.35 g/mol
LogP2.00
Rot. Bonds2

About tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate

tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate (PubChem CID 54530914) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate
PubChem CID54530914
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate
SMILESC=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CN
InChIInChI=1S/C13H24N2O2/c1-5-10-9-15(7-6-11(10)8-14)12(16)17-13(2,3)4/h5,10-11H,1,6-9,14H2,2-4H3/t10-,11-/m0/s1
InChIKeyYWLQPZKKBQNRQS-QWRGUYRKSA-N
XLogP2.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate (CID 54530914) is tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate is C=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CN.
What is the InChIKey of tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate?
The InChIKey is YWLQPZKKBQNRQS-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-10-9-15(7-6-11(10)8-14)12(16)17-13(2,3)4/h5,10-11H,1,6-9,14H2,2-4H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate?
tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate is sourced from PubChem (CID 54530914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).