methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride

C8H17ClN2O2 — CID 21469156

IUPACmethyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CCN(C)CC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-10-5-3-8(9,4-6-10)7(11)12-2;/h3-6,9H2,1-2H3;1H
InChIKeySGFTWPPYNWSUBF-UHFFFAOYSA-N
MW208.69 g/mol
LogP0.00
Rot. Bonds1

About methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride

methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride (PubChem CID 21469156) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride
PubChem CID21469156
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Namemethyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CCN(C)CC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-10-5-3-8(9,4-6-10)7(11)12-2;/h3-6,9H2,1-2H3;1H
InChIKeySGFTWPPYNWSUBF-UHFFFAOYSA-N
XLogP0.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride (CID 21469156) is methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride is COC(=O)C1(N)CCN(C)CC1.Cl.
What is the InChIKey of methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is SGFTWPPYNWSUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c1-10-5-3-8(9,4-6-10)7(11)12-2;/h3-6,9H2,1-2H3;1H.
What are the key properties of methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride?
methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 21469156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).