methyl 1-(2-aminoethyl)piperidine-4-carboxylate

C9H18N2O2 — CID 60768243

IUPACmethyl 1-(2-aminoethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCN)CC1
InChIInChI=1S/C9H18N2O2/c1-13-9(12)8-2-5-11(6-3-8)7-4-10/h8H,2-7,10H2,1H3
InChIKeyJZIKGAAARRDXBA-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.17
Rot. Bonds3

About methyl 1-(2-aminoethyl)piperidine-4-carboxylate

methyl 1-(2-aminoethyl)piperidine-4-carboxylate (PubChem CID 60768243) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 1-(2-aminoethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-aminoethyl)piperidine-4-carboxylate
PubChem CID60768243
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 1-(2-aminoethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCN)CC1
InChIInChI=1S/C9H18N2O2/c1-13-9(12)8-2-5-11(6-3-8)7-4-10/h8H,2-7,10H2,1H3
InChIKeyJZIKGAAARRDXBA-UHFFFAOYSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-aminoethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-aminoethyl)piperidine-4-carboxylate (CID 60768243) is methyl 1-(2-aminoethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-aminoethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-aminoethyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCN)CC1.
What is the InChIKey of methyl 1-(2-aminoethyl)piperidine-4-carboxylate?
The InChIKey is JZIKGAAARRDXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-9(12)8-2-5-11(6-3-8)7-4-10/h8H,2-7,10H2,1H3.
What are the key properties of methyl 1-(2-aminoethyl)piperidine-4-carboxylate?
methyl 1-(2-aminoethyl)piperidine-4-carboxylate has a molecular weight of 186.25 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-aminoethyl)piperidine-4-carboxylate is sourced from PubChem (CID 60768243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).