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

C8H16ClNO2 — CID 101043498

IUPACmethyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CC[C@@H](C)NC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6-3-4-7(5-9-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7+;/m1./s1
InChIKeyCOCIOCKRYRXGEP-HHQFNNIRSA-N
MW193.67 g/mol
LogP0.97
Rot. Bonds1

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

methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride (PubChem CID 101043498) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride
PubChem CID101043498
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CC[C@@H](C)NC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6-3-4-7(5-9-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7+;/m1./s1
InChIKeyCOCIOCKRYRXGEP-HHQFNNIRSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R,6S)-6-methylpiperidine-3-carboxylate
CID 59277634
acetic acid;methyl 6-methylpiperidine-3-carboxylate
CID 154942915
methyl 6-cyclopropylpiperidine-3-carboxylate
CID 83915093
methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride
CID 155943979
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 (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate
CID 117168120

Frequently Asked Questions

What is the IUPAC name of methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride (CID 101043498) is methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride is COC(=O)[C@H]1CC[C@@H](C)NC1.Cl.
What is the InChIKey of methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride?
The InChIKey is COCIOCKRYRXGEP-HHQFNNIRSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-6-3-4-7(5-9-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7+;/m1./s1.
What are the key properties of methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride?
methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 101043498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).