tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate

C13H23NO3 — CID 73124336

IUPACtert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1C(O)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-5-7-10-11(15)8-6-9-14(10)12(16)17-13(2,3)4/h5,10-11,15H,1,6-9H2,2-4H3
InChIKeyLWRHBPUNAPRDCM-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.32
Rot. Bonds2

About tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate

tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate (PubChem CID 73124336) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
PubChem CID73124336
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1C(O)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-5-7-10-11(15)8-6-9-14(10)12(16)17-13(2,3)4/h5,10-11,15H,1,6-9H2,2-4H3
InChIKeyLWRHBPUNAPRDCM-UHFFFAOYSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.32
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-hydroxy-4-methylidenepiperidine-1-carboxylate
CID 10584700
tert-butyl (3R)-3-hydroxy-4-methylidenepiperidine-1-carboxylate
CID 86306882
tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 45101555
tert-butyl (2R)-2-[(1R)-1-hydroxypropyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 45101556
prop-2-enyl (2R,3S)-2-ethenyl-3-hydroxypiperidine-1-carboxylate
CID 138983416
tert-butyl (4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 146165269
tert-butyl 4-[(1R)-1-hydroxybut-3-enyl]piperidine-1-carboxylate
CID 146167468
tert-butyl 4-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]piperidine-1-carboxylate
CID 164669586
tert-butyl (2R,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11845447
tert-butyl (2R,4R)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11847162
tert-butyl (2S,4S)-4-hydroxy-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11847164
tert-butyl (2S,4R)-2-allyl-4-hydroxypyrrolidine-1-carboxylate
CID 11847313

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate (CID 73124336) is tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate is C=CCC1C(O)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is LWRHBPUNAPRDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-7-10-11(15)8-6-9-14(10)12(16)17-13(2,3)4/h5,10-11,15H,1,6-9H2,2-4H3.
What are the key properties of tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate?
tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 73124336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).