methyl (3R,6S)-6-methylpiperidine-3-carboxylate

C8H15NO2 — CID 59277634

IUPACmethyl (3R,6S)-6-methylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](C)NC1
InChIInChI=1S/C8H15NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyAJUGGHOVBBTHCD-NKWVEPMBSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds1

About methyl (3R,6S)-6-methylpiperidine-3-carboxylate

methyl (3R,6S)-6-methylpiperidine-3-carboxylate (PubChem CID 59277634) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl (3R,6S)-6-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,6S)-6-methylpiperidine-3-carboxylate
PubChem CID59277634
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl (3R,6S)-6-methylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](C)NC1
InChIInChI=1S/C8H15NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyAJUGGHOVBBTHCD-NKWVEPMBSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride
CID 101043498
acetic acid;methyl 6-methylpiperidine-3-carboxylate
CID 154942915
methyl 6-cyclopropylpiperidine-3-carboxylate
CID 83915093
N,N,6-trimethylpiperidine-3-carboxamide
CID 24697957
N-carbamoyl-6-methylpiperidine-3-carboxamide
CID 131001630
methyl pyrrolidine-3-carboxylate
CID 4114360
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate
CID 117168120
methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231
methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride
CID 155943979

Frequently Asked Questions

What is the IUPAC name of methyl (3R,6S)-6-methylpiperidine-3-carboxylate?
The IUPAC name of methyl (3R,6S)-6-methylpiperidine-3-carboxylate (CID 59277634) is methyl (3R,6S)-6-methylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,6S)-6-methylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3R,6S)-6-methylpiperidine-3-carboxylate is COC(=O)[C@@H]1CC[C@H](C)NC1.
What is the InChIKey of methyl (3R,6S)-6-methylpiperidine-3-carboxylate?
The InChIKey is AJUGGHOVBBTHCD-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of methyl (3R,6S)-6-methylpiperidine-3-carboxylate?
methyl (3R,6S)-6-methylpiperidine-3-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,6S)-6-methylpiperidine-3-carboxylate is sourced from PubChem (CID 59277634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).