methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride

C8H18Cl2N2O2 — CID 75527804

IUPACmethyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride
SMILESCOC(=O)CN1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C8H16N2O2.2ClH/c1-12-8(11)6-10-4-2-3-7(9)5-10;;/h7H,2-6,9H2,1H3;2*1H
InChIKeyGJDGGJRPRUURGZ-UHFFFAOYSA-N
MW245.15 g/mol
LogP0.43
Rot. Bonds2

About methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride

methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride (PubChem CID 75527804) has the molecular formula C8H18Cl2N2O2 and a molecular weight of 245.15 g/mol. Its IUPAC name is methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride
PubChem CID75527804
Molecular FormulaC8H18Cl2N2O2
Molecular Weight245.15 g/mol
Exact Mass244.07
IUPAC Namemethyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride
SMILESCOC(=O)CN1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C8H16N2O2.2ClH/c1-12-8(11)6-10-4-2-3-7(9)5-10;;/h7H,2-6,9H2,1H3;2*1H
InChIKeyGJDGGJRPRUURGZ-UHFFFAOYSA-N
XLogP0.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride?
The IUPAC name of methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride (CID 75527804) is methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride.
What is the SMILES notation for methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride?
The canonical SMILES for methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride is COC(=O)CN1CCCC(N)C1.Cl.Cl.
What is the InChIKey of methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride?
The InChIKey is GJDGGJRPRUURGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.2ClH/c1-12-8(11)6-10-4-2-3-7(9)5-10;;/h7H,2-6,9H2,1H3;2*1H.
What are the key properties of methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride?
methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride has a molecular weight of 245.15 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminopiperidin-1-yl)acetate;dihydrochloride is sourced from PubChem (CID 75527804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).