N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen

C11H23N2O2- — CID 158397031

IUPACN-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen
SMILESC[C@@H]1CCNC[C@H]1/N=C(\[O-])OC(C)(C)C.[H][H]
InChIInChI=1S/C11H22N2O2.H2/c1-8-5-6-12-7-9(8)13-10(14)15-11(2,3)4;/h8-9,12H,5-7H2,1-4H3,(H,13,14);1H/p-1/t8-,9-;/m1./s1
InChIKeyGXQBOIVOVXVOAL-VTLYIQCISA-M
MW215.32 g/mol
LogP0.76
Rot. Bonds1

About N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen

N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen (PubChem CID 158397031) has the molecular formula C11H23N2O2- and a molecular weight of 215.32 g/mol. Its IUPAC name is N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen.

Molecular Properties

Compound NameN-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen
PubChem CID158397031
Molecular FormulaC11H23N2O2-
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC NameN-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen
SMILESC[C@@H]1CCNC[C@H]1/N=C(\[O-])OC(C)(C)C.[H][H]
InChIInChI=1S/C11H22N2O2.H2/c1-8-5-6-12-7-9(8)13-10(14)15-11(2,3)4;/h8-9,12H,5-7H2,1-4H3,(H,13,14);1H/p-1/t8-,9-;/m1./s1
InChIKeyGXQBOIVOVXVOAL-VTLYIQCISA-M
XLogP0.76
TPSA56.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R,4R)-3-methylpiperidine-4-carboxylate;molecular hydrogen
CID 142290710
tert-butyl 3-methylpiperidine-4-carboxylate
CID 3356505
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate
CID 58332169
tert-butyl 4-hydroxypiperidine-3-carboxylate
CID 105453621
tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate
CID 96860128
dimethyl-(4-methylpiperidin-3-yl)imino-oxo-λ6-sulfane
CID 139357563
tert-butyl N-methyl-N-(3-methylpiperidin-4-yl)carbamate
CID 53415355
N-(3-aminocyclohexyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 23378346
tert-butyl 1-oxo-1,4-thiazinane-2-carboxylate
CID 175467340
methyl 4-methylpiperidine-3-carboxylate
CID 45043143
tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate
CID 178194440

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen?
The IUPAC name of N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen (CID 158397031) is N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen.
What is the SMILES notation for N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen?
The canonical SMILES for N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen is C[C@@H]1CCNC[C@H]1/N=C(\[O-])OC(C)(C)C.[H][H].
What is the InChIKey of N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen?
The InChIKey is GXQBOIVOVXVOAL-VTLYIQCISA-M. The full InChI is InChI=1S/C11H22N2O2.H2/c1-8-5-6-12-7-9(8)13-10(14)15-11(2,3)4;/h8-9,12H,5-7H2,1-4H3,(H,13,14);1H/p-1/t8-,9-;/m1./s1.
What are the key properties of N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen?
N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen has a molecular weight of 215.32 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methylpiperidin-3-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate;molecular hydrogen is sourced from PubChem (CID 158397031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).