2-aminoethyl piperidine-4-carboxylate

C8H16N2O2 — CID 54266363

IUPAC2-aminoethyl piperidine-4-carboxylate
SMILESNCCOC(=O)C1CCNCC1
InChIInChI=1S/C8H16N2O2/c9-3-6-12-8(11)7-1-4-10-5-2-7/h7,10H,1-6,9H2
InChIKeyRHAQONDHGXQAEH-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.51
Rot. Bonds3

About 2-aminoethyl piperidine-4-carboxylate

2-aminoethyl piperidine-4-carboxylate (PubChem CID 54266363) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-aminoethyl piperidine-4-carboxylate.

Molecular Properties

Compound Name2-aminoethyl piperidine-4-carboxylate
PubChem CID54266363
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-aminoethyl piperidine-4-carboxylate
SMILESNCCOC(=O)C1CCNCC1
InChIInChI=1S/C8H16N2O2/c9-3-6-12-8(11)7-1-4-10-5-2-7/h7,10H,1-6,9H2
InChIKeyRHAQONDHGXQAEH-UHFFFAOYSA-N
XLogP-0.51
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 ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl piperidine-4-carboxylate?
The IUPAC name of 2-aminoethyl piperidine-4-carboxylate (CID 54266363) is 2-aminoethyl piperidine-4-carboxylate.
What is the SMILES notation for 2-aminoethyl piperidine-4-carboxylate?
The canonical SMILES for 2-aminoethyl piperidine-4-carboxylate is NCCOC(=O)C1CCNCC1.
What is the InChIKey of 2-aminoethyl piperidine-4-carboxylate?
The InChIKey is RHAQONDHGXQAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-3-6-12-8(11)7-1-4-10-5-2-7/h7,10H,1-6,9H2.
What are the key properties of 2-aminoethyl piperidine-4-carboxylate?
2-aminoethyl piperidine-4-carboxylate has a molecular weight of 172.23 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl piperidine-4-carboxylate is sourced from PubChem (CID 54266363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).