piperidin-4-yl 3-aminopropanoate

C8H16N2O2 — CID 67829463

IUPACpiperidin-4-yl 3-aminopropanoate
SMILESNCCC(=O)OC1CCNCC1
InChIInChI=1S/C8H16N2O2/c9-4-1-8(11)12-7-2-5-10-6-3-7/h7,10H,1-6,9H2
InChIKeyGUGVFXKKHZBJQP-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.37
Rot. Bonds3

About piperidin-4-yl 3-aminopropanoate

piperidin-4-yl 3-aminopropanoate (PubChem CID 67829463) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is piperidin-4-yl 3-aminopropanoate.

Molecular Properties

Compound Namepiperidin-4-yl 3-aminopropanoate
PubChem CID67829463
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namepiperidin-4-yl 3-aminopropanoate
SMILESNCCC(=O)OC1CCNCC1
InChIInChI=1S/C8H16N2O2/c9-4-1-8(11)12-7-2-5-10-6-3-7/h7,10H,1-6,9H2
InChIKeyGUGVFXKKHZBJQP-UHFFFAOYSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 3-aminopropanoate?
The IUPAC name of piperidin-4-yl 3-aminopropanoate (CID 67829463) is piperidin-4-yl 3-aminopropanoate.
What is the SMILES notation for piperidin-4-yl 3-aminopropanoate?
The canonical SMILES for piperidin-4-yl 3-aminopropanoate is NCCC(=O)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl 3-aminopropanoate?
The InChIKey is GUGVFXKKHZBJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-4-1-8(11)12-7-2-5-10-6-3-7/h7,10H,1-6,9H2.
What are the key properties of piperidin-4-yl 3-aminopropanoate?
piperidin-4-yl 3-aminopropanoate has a molecular weight of 172.23 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 3-aminopropanoate is sourced from PubChem (CID 67829463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).