methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride

C9H18ClNO2 — CID 67791330

IUPACmethyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CC(C)(C)CCN1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(2)4-5-10-7(6-9)8(11)12-3;/h7,10H,4-6H2,1-3H3;1H
InChIKeyVZPUDYDFOJSSCR-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.36
Rot. Bonds1

About methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride

methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride (PubChem CID 67791330) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride
PubChem CID67791330
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namemethyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CC(C)(C)CCN1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(2)4-5-10-7(6-9)8(11)12-3;/h7,10H,4-6H2,1-3H3;1H
InChIKeyVZPUDYDFOJSSCR-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate
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methyl 5-azaspiro[2.4]heptane-6-carboxylate
CID 77471720
methyl 3,3-dimethylpyrrolidine-2-carboxylate
CID 75088961
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl 4-[1-[[(2S)-4,4-dimethylpiperidine-2-carbonyl]amino]cyclopropyl]benzoate
CID 124645144
methyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 42614245
methyl 4-methylidenepiperidine-2-carboxylate
CID 45082152
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
methyl 1-azaspiro[3.4]octane-2-carboxylate
CID 167715027
methyl 5,5-dimethylpyrrolidine-2-carboxylate
CID 75088958
methyl (8R)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 122607276
methyl 1,4-diazepane-2-carboxylate
CID 45358161

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride (CID 67791330) is methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride is COC(=O)C1CC(C)(C)CCN1.Cl.
What is the InChIKey of methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride?
The InChIKey is VZPUDYDFOJSSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-9(2)4-5-10-7(6-9)8(11)12-3;/h7,10H,4-6H2,1-3H3;1H.
What are the key properties of methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride?
methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 67791330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).