methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride

C8H16ClNO2 — CID 14869355

IUPACmethyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CCNC[C@@H]1C.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6-5-9-4-3-7(6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7+;/m0./s1
InChIKeyLIBNHIYBEVBSKI-UOERWJHTSA-N
MW193.67 g/mol
LogP0.83
Rot. Bonds1

About methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride

methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride (PubChem CID 14869355) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride
PubChem CID14869355
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CCNC[C@@H]1C.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6-5-9-4-3-7(6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7+;/m0./s1
InChIKeyLIBNHIYBEVBSKI-UOERWJHTSA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride (CID 14869355) is methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride is COC(=O)[C@@H]1CCNC[C@@H]1C.Cl.
What is the InChIKey of methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is LIBNHIYBEVBSKI-UOERWJHTSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-6-5-9-4-3-7(6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7+;/m0./s1.
What are the key properties of methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride?
methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-3-methylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 14869355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).