ethyl 3-(4-aminopiperidin-1-yl)propanoate

C10H20N2O2 — CID 10750549

IUPACethyl 3-(4-aminopiperidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCC(N)CC1
InChIInChI=1S/C10H20N2O2/c1-2-14-10(13)5-8-12-6-3-9(11)4-7-12/h9H,2-8,11H2,1H3
InChIKeyPOXKAYBWEDRYSV-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds4

About ethyl 3-(4-aminopiperidin-1-yl)propanoate

ethyl 3-(4-aminopiperidin-1-yl)propanoate (PubChem CID 10750549) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 3-(4-aminopiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-aminopiperidin-1-yl)propanoate
PubChem CID10750549
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 3-(4-aminopiperidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCC(N)CC1
InChIInChI=1S/C10H20N2O2/c1-2-14-10(13)5-8-12-6-3-9(11)4-7-12/h9H,2-8,11H2,1H3
InChIKeyPOXKAYBWEDRYSV-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-aminopiperidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(4-aminopiperidin-1-yl)propanoate (CID 10750549) is ethyl 3-(4-aminopiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-aminopiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(4-aminopiperidin-1-yl)propanoate is CCOC(=O)CCN1CCC(N)CC1.
What is the InChIKey of ethyl 3-(4-aminopiperidin-1-yl)propanoate?
The InChIKey is POXKAYBWEDRYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-14-10(13)5-8-12-6-3-9(11)4-7-12/h9H,2-8,11H2,1H3.
What are the key properties of ethyl 3-(4-aminopiperidin-1-yl)propanoate?
ethyl 3-(4-aminopiperidin-1-yl)propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-aminopiperidin-1-yl)propanoate is sourced from PubChem (CID 10750549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).