methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride

C9H18ClNO2 — CID 155943979

IUPACmethyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CN[C@H](C)[C@H](C)C1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-6-4-8(9(11)12-3)5-10-7(6)2;/h6-8,10H,4-5H2,1-3H3;1H/t6-,7-,8+;/m1./s1
InChIKeyHNOXTVNUJUXJBL-LRACWOHVSA-N
MW207.70 g/mol
LogP1.22
Rot. Bonds1

About methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride

methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride (PubChem CID 155943979) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride
PubChem CID155943979
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namemethyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CN[C@H](C)[C@H](C)C1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-6-4-8(9(11)12-3)5-10-7(6)2;/h6-8,10H,4-5H2,1-3H3;1H/t6-,7-,8+;/m1./s1
InChIKeyHNOXTVNUJUXJBL-LRACWOHVSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid
CID 178194412
methyl 2-methylazetidine-3-carboxylate;hydrochloride
CID 118796246
methyl 5-methylpiperidine-3-carboxylate;hydrochloride
CID 75464874
methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride
CID 101043498
dimethyl (3R,5R)-piperidine-3,5-dicarboxylate
CID 69137212
methyl 5-(fluoromethyl)pyrrolidine-3-carboxylate
CID 67033610
2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate
CID 73094768
methyl (3R)-5-methylpiperidine-3-carboxylate
CID 178133263
methyl (3R,6S)-6-methylpiperidine-3-carboxylate
CID 59277634
methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
acetic acid;methyl 6-methylpiperidine-3-carboxylate
CID 154942915
methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
CID 154814550

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride (CID 155943979) is methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride is COC(=O)[C@@H]1CN[C@H](C)[C@H](C)C1.Cl.
What is the InChIKey of methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride?
The InChIKey is HNOXTVNUJUXJBL-LRACWOHVSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-6-4-8(9(11)12-3)5-10-7(6)2;/h6-8,10H,4-5H2,1-3H3;1H/t6-,7-,8+;/m1./s1.
What are the key properties of methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride?
methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 155943979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).