2-(3-amino-1-methylpiperidin-3-yl)acetate

C8H15N2O2- — CID 86649846

IUPAC2-(3-amino-1-methylpiperidin-3-yl)acetate
SMILESCN1CCCC(N)(CC(=O)[O-])C1
InChIInChI=1S/C8H16N2O2/c1-10-4-2-3-8(9,6-10)5-7(11)12/h2-6,9H2,1H3,(H,11,12)/p-1
InChIKeyLRDHYKDMALRISM-UHFFFAOYSA-M
MW171.22 g/mol
LogP-1.45
Rot. Bonds2

About 2-(3-amino-1-methylpiperidin-3-yl)acetate

2-(3-amino-1-methylpiperidin-3-yl)acetate (PubChem CID 86649846) has the molecular formula C8H15N2O2- and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-(3-amino-1-methylpiperidin-3-yl)acetate.

Molecular Properties

Compound Name2-(3-amino-1-methylpiperidin-3-yl)acetate
PubChem CID86649846
Molecular FormulaC8H15N2O2-
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name2-(3-amino-1-methylpiperidin-3-yl)acetate
SMILESCN1CCCC(N)(CC(=O)[O-])C1
InChIInChI=1S/C8H16N2O2/c1-10-4-2-3-8(9,6-10)5-7(11)12/h2-6,9H2,1H3,(H,11,12)/p-1
InChIKeyLRDHYKDMALRISM-UHFFFAOYSA-M
XLogP-1.45
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-methylpiperidin-3-yl)acetate?
The IUPAC name of 2-(3-amino-1-methylpiperidin-3-yl)acetate (CID 86649846) is 2-(3-amino-1-methylpiperidin-3-yl)acetate.
What is the SMILES notation for 2-(3-amino-1-methylpiperidin-3-yl)acetate?
The canonical SMILES for 2-(3-amino-1-methylpiperidin-3-yl)acetate is CN1CCCC(N)(CC(=O)[O-])C1.
What is the InChIKey of 2-(3-amino-1-methylpiperidin-3-yl)acetate?
The InChIKey is LRDHYKDMALRISM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N2O2/c1-10-4-2-3-8(9,6-10)5-7(11)12/h2-6,9H2,1H3,(H,11,12)/p-1.
What are the key properties of 2-(3-amino-1-methylpiperidin-3-yl)acetate?
2-(3-amino-1-methylpiperidin-3-yl)acetate has a molecular weight of 171.22 g/mol, XLogP of -1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-methylpiperidin-3-yl)acetate is sourced from PubChem (CID 86649846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).