methyl (3R)-5-methylpiperidine-3-carboxylate

C8H15NO2 — CID 178133263

IUPACmethyl (3R)-5-methylpiperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CNCC(C)C1
InChIInChI=1S/C8H15NO2/c1-6-3-7(5-9-4-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6?,7-/m1/s1
InChIKeyHJPYJRXRHXOATI-COBSHVIPSA-N
MW157.21 g/mol
LogP0.41
Rot. Bonds1

About methyl (3R)-5-methylpiperidine-3-carboxylate

methyl (3R)-5-methylpiperidine-3-carboxylate (PubChem CID 178133263) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl (3R)-5-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-5-methylpiperidine-3-carboxylate
PubChem CID178133263
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl (3R)-5-methylpiperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CNCC(C)C1
InChIInChI=1S/C8H15NO2/c1-6-3-7(5-9-4-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6?,7-/m1/s1
InChIKeyHJPYJRXRHXOATI-COBSHVIPSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-methylpiperidine-3-carboxylate;hydrochloride
CID 75464874
dimethyl (3R,5R)-piperidine-3,5-dicarboxylate
CID 69137212
methyl (3S,5S)-5-methoxypiperidine-3-carboxylate
CID 124509731
1-[(3S,5R)-5-methylpiperidin-3-yl]ethanone
CID 178194792
cyclopentyl-(5-methylpiperidin-3-yl)methanone
CID 130804308
methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride
CID 167994766
methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate
CID 124547363
1-(5-methylpiperidin-3-yl)prop-2-yn-1-one
CID 130942510
methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
CID 154814550
1-(5-methylpiperidin-3-yl)propan-1-one
CID 130940115
N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide
CID 114130968
methyl pyrrolidine-3-carboxylate
CID 4114360

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-5-methylpiperidine-3-carboxylate?
The IUPAC name of methyl (3R)-5-methylpiperidine-3-carboxylate (CID 178133263) is methyl (3R)-5-methylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-5-methylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3R)-5-methylpiperidine-3-carboxylate is COC(=O)[C@H]1CNCC(C)C1.
What is the InChIKey of methyl (3R)-5-methylpiperidine-3-carboxylate?
The InChIKey is HJPYJRXRHXOATI-COBSHVIPSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-3-7(5-9-4-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of methyl (3R)-5-methylpiperidine-3-carboxylate?
methyl (3R)-5-methylpiperidine-3-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-5-methylpiperidine-3-carboxylate is sourced from PubChem (CID 178133263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).