cyclohexyl 2-(4-aminopiperidin-1-yl)acetate

C13H24N2O2 — CID 54046955

IUPACcyclohexyl 2-(4-aminopiperidin-1-yl)acetate
SMILESNC1CCN(CC(=O)OC2CCCCC2)CC1
InChIInChI=1S/C13H24N2O2/c14-11-6-8-15(9-7-11)10-13(16)17-12-4-2-1-3-5-12/h11-12H,1-10,14H2
InChIKeyLQFYISZECVDOBA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.29
Rot. Bonds3

About cyclohexyl 2-(4-aminopiperidin-1-yl)acetate

cyclohexyl 2-(4-aminopiperidin-1-yl)acetate (PubChem CID 54046955) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is cyclohexyl 2-(4-aminopiperidin-1-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(4-aminopiperidin-1-yl)acetate
PubChem CID54046955
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namecyclohexyl 2-(4-aminopiperidin-1-yl)acetate
SMILESNC1CCN(CC(=O)OC2CCCCC2)CC1
InChIInChI=1S/C13H24N2O2/c14-11-6-8-15(9-7-11)10-13(16)17-12-4-2-1-3-5-12/h11-12H,1-10,14H2
InChIKeyLQFYISZECVDOBA-UHFFFAOYSA-N
XLogP1.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-aminopiperidin-1-yl)acetate?
The IUPAC name of cyclohexyl 2-(4-aminopiperidin-1-yl)acetate (CID 54046955) is cyclohexyl 2-(4-aminopiperidin-1-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(4-aminopiperidin-1-yl)acetate?
The canonical SMILES for cyclohexyl 2-(4-aminopiperidin-1-yl)acetate is NC1CCN(CC(=O)OC2CCCCC2)CC1.
What is the InChIKey of cyclohexyl 2-(4-aminopiperidin-1-yl)acetate?
The InChIKey is LQFYISZECVDOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-11-6-8-15(9-7-11)10-13(16)17-12-4-2-1-3-5-12/h11-12H,1-10,14H2.
What are the key properties of cyclohexyl 2-(4-aminopiperidin-1-yl)acetate?
cyclohexyl 2-(4-aminopiperidin-1-yl)acetate has a molecular weight of 240.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-aminopiperidin-1-yl)acetate is sourced from PubChem (CID 54046955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).