methyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride

C9H18ClNO2 — CID 121305790

IUPACmethyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCNCC1(C)C.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(2)6-10-5-4-7(9)8(11)12-3;/h7,10H,4-6H2,1-3H3;1H
InChIKeyDDGNULFBXWLPLT-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.22
Rot. Bonds1

About methyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride

methyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride (PubChem CID 121305790) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is methyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride
PubChem CID121305790
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namemethyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCNCC1(C)C.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(2)6-10-5-4-7(9)8(11)12-3;/h7,10H,4-6H2,1-3H3;1H
InChIKeyDDGNULFBXWLPLT-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride (CID 121305790) is methyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride is COC(=O)C1CCNCC1(C)C.Cl.
What is the InChIKey of methyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is DDGNULFBXWLPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-9(2)6-10-5-4-7(9)8(11)12-3;/h7,10H,4-6H2,1-3H3;1H.
What are the key properties of methyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride?
methyl 3,3-dimethylpiperidine-4-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 3,3-dimethylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 121305790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).