tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate

C13H24N2O2 — CID 46829958

IUPACtert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate
SMILESC=CC[C@@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-5-6-10-7-11(9-14-8-10)15-12(16)17-13(2,3)4/h5,10-11,14H,1,6-9H2,2-4H3,(H,15,16)/t10-,11-/m0/s1
InChIKeyOSMQZFUCEAPVKO-QWRGUYRKSA-N
MW240.35 g/mol
LogP2.07
Rot. Bonds3

About tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate

tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate (PubChem CID 46829958) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate
PubChem CID46829958
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate
SMILESC=CC[C@@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-5-6-10-7-11(9-14-8-10)15-12(16)17-13(2,3)4/h5,10-11,14H,1,6-9H2,2-4H3,(H,15,16)/t10-,11-/m0/s1
InChIKeyOSMQZFUCEAPVKO-QWRGUYRKSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate (CID 46829958) is tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate is C=CC[C@@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate?
The InChIKey is OSMQZFUCEAPVKO-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-6-10-7-11(9-14-8-10)15-12(16)17-13(2,3)4/h5,10-11,14H,1,6-9H2,2-4H3,(H,15,16)/t10-,11-/m0/s1.
What are the key properties of tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate?
tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate is sourced from PubChem (CID 46829958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).