tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid

C12H22N2O7 — CID 138108864

IUPACtert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
SMILESCC(C)(C)OC(=O)NC1CNCCC1O.O=C(O)C(=O)O
InChIInChI=1S/C10H20N2O3.C2H2O4/c1-10(2,3)15-9(14)12-7-6-11-5-4-8(7)13;3-1(4)2(5)6/h7-8,11,13H,4-6H2,1-3H3,(H,12,14);(H,3,4)(H,5,6)
InChIKeyPYSJHAYLPOIBKE-UHFFFAOYSA-N
MW306.32 g/mol
LogP-0.61
Rot. Bonds1

About tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid

tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid (PubChem CID 138108864) has the molecular formula C12H22N2O7 and a molecular weight of 306.32 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
PubChem CID138108864
Molecular FormulaC12H22N2O7
Molecular Weight306.32 g/mol
Exact Mass306.14
IUPAC Nametert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
SMILESCC(C)(C)OC(=O)NC1CNCCC1O.O=C(O)C(=O)O
InChIInChI=1S/C10H20N2O3.C2H2O4/c1-10(2,3)15-9(14)12-7-6-11-5-4-8(7)13;3-1(4)2(5)6/h7-8,11,13H,4-6H2,1-3H3,(H,12,14);(H,3,4)(H,5,6)
InChIKeyPYSJHAYLPOIBKE-UHFFFAOYSA-N
XLogP-0.61
TPSA145.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
CID 69182337
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
CID 121207555
tert-butyl N-[(3S)-azepan-3-yl]carbamate;oxalic acid
CID 154705936
tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid?
The IUPAC name of tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid (CID 138108864) is tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid.
What is the SMILES notation for tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid?
The canonical SMILES for tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid is CC(C)(C)OC(=O)NC1CNCCC1O.O=C(O)C(=O)O.
What is the InChIKey of tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid?
The InChIKey is PYSJHAYLPOIBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.C2H2O4/c1-10(2,3)15-9(14)12-7-6-11-5-4-8(7)13;3-1(4)2(5)6/h7-8,11,13H,4-6H2,1-3H3,(H,12,14);(H,3,4)(H,5,6).
What are the key properties of tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid?
tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid has a molecular weight of 306.32 g/mol, XLogP of -0.61, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid is sourced from PubChem (CID 138108864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).