(4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate

C11H14ClN3O2 — CID 69378422

IUPAC(4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate
SMILESNC1CCN(OC(=O)c2cncc(Cl)c2)CC1
InChIInChI=1S/C11H14ClN3O2/c12-9-5-8(6-14-7-9)11(16)17-15-3-1-10(13)2-4-15/h5-7,10H,1-4,13H2
InChIKeyCEFVPJURTZNISW-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.23
Rot. Bonds2

About (4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate

(4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate (PubChem CID 69378422) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate
PubChem CID69378422
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name(4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate
SMILESNC1CCN(OC(=O)c2cncc(Cl)c2)CC1
InChIInChI=1S/C11H14ClN3O2/c12-9-5-8(6-14-7-9)11(16)17-15-3-1-10(13)2-4-15/h5-7,10H,1-4,13H2
InChIKeyCEFVPJURTZNISW-UHFFFAOYSA-N
XLogP1.23
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate?
The IUPAC name of (4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate (CID 69378422) is (4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate.
What is the SMILES notation for (4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate?
The canonical SMILES for (4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate is NC1CCN(OC(=O)c2cncc(Cl)c2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate?
The InChIKey is CEFVPJURTZNISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-9-5-8(6-14-7-9)11(16)17-15-3-1-10(13)2-4-15/h5-7,10H,1-4,13H2.
What are the key properties of (4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate?
(4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate has a molecular weight of 255.70 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl) 5-chloropyridine-3-carboxylate is sourced from PubChem (CID 69378422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).