tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid

C14H25NO5 — CID 122652546

IUPACtert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(C)(C)OC(=O)N1CCC(O)CC1
InChIInChI=1S/C10H19NO3.C4H6O2/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-3(2)4(5)6/h8,12H,4-7H2,1-3H3;1H2,2H3,(H,5,6)
InChIKeyMJOCRJQUZIZLEE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.03
Rot. Bonds1

About tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid

tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid (PubChem CID 122652546) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nametert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid
PubChem CID122652546
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nametert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(C)(C)OC(=O)N1CCC(O)CC1
InChIInChI=1S/C10H19NO3.C4H6O2/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-3(2)4(5)6/h8,12H,4-7H2,1-3H3;1H2,2H3,(H,5,6)
InChIKeyMJOCRJQUZIZLEE-UHFFFAOYSA-N
XLogP2.03
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol
CID 157216636
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;ethane;methanol;tungsten;hydrate
CID 170975790
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl 4-(2-methylprop-2-enoxy)piperidine-1-carboxylate
CID 129278353
tert-butyl 4-[(4-hydroxycyclohexyl)amino]azepane-1-carboxylate
CID 103980484
tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 129314371
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-oxoacetic acid
CID 138967384
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 162048844
(1,1,1-trichloro-2-methylpropan-2-yl) 4-hydroxypiperidine-1-carboxylate
CID 163212680
tert-butyl (4S,5S)-4-amino-5-methylazepane-1-carboxylate
CID 124523400
3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid
CID 119030188

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid?
The IUPAC name of tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid (CID 122652546) is tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid.
What is the SMILES notation for tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid?
The canonical SMILES for tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC(C)(C)OC(=O)N1CCC(O)CC1.
What is the InChIKey of tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid?
The InChIKey is MJOCRJQUZIZLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C4H6O2/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-3(2)4(5)6/h8,12H,4-7H2,1-3H3;1H2,2H3,(H,5,6).
What are the key properties of tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid?
tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid is sourced from PubChem (CID 122652546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).