tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate

C14H25NO2 — CID 124585421

IUPACtert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate
SMILESC=CCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO2/c1-5-6-8-12-9-7-10-15(11-12)13(16)17-14(2,3)4/h5,12H,1,6-11H2,2-4H3/t12-/m1/s1
InChIKeyWRLFUFQUXZJPAX-GFCCVEGCSA-N
MW239.36 g/mol
LogP3.60
Rot. Bonds3

About tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate

tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate (PubChem CID 124585421) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate
PubChem CID124585421
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate
SMILESC=CCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO2/c1-5-6-8-12-9-7-10-15(11-12)13(16)17-14(2,3)4/h5,12H,1,6-11H2,2-4H3/t12-/m1/s1
InChIKeyWRLFUFQUXZJPAX-GFCCVEGCSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S)-3-(prop-2-enoxymethyl)piperidine-1-carboxylate
CID 89323533
tert-butyl 3-(2-iodoethyl)piperidine-1-carboxylate
CID 10088547
tert-butyl 3-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 104582153
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 2756824
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 4115028
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate
CID 68857542
tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
CID 97172112
tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate
CID 69161841
tert-butyl 3-(2-aminoethyl)azepane-1-carboxylate
CID 83488042
tert-butyl 3-prop-2-enylpyrrolidine-1-carboxylate
CID 129095066
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate (CID 124585421) is tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate is C=CCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate?
The InChIKey is WRLFUFQUXZJPAX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-6-8-12-9-7-10-15(11-12)13(16)17-14(2,3)4/h5,12H,1,6-11H2,2-4H3/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate?
tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate is sourced from PubChem (CID 124585421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).