(2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate

C15H22N2O2 — CID 19790577

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccncc2)CC(C)(C)N1
InChIInChI=1S/C15H22N2O2/c1-14(2)9-12(10-15(3,4)17-14)19-13(18)11-5-7-16-8-6-11/h5-8,12,17H,9-10H2,1-4H3
InChIKeyKJFLCPFBSZCMDQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.55
Rot. Bonds2

About (2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate

(2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate (PubChem CID 19790577) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate
PubChem CID19790577
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccncc2)CC(C)(C)N1
InChIInChI=1S/C15H22N2O2/c1-14(2)9-12(10-15(3,4)17-14)19-13(18)11-5-7-16-8-6-11/h5-8,12,17H,9-10H2,1-4H3
InChIKeyKJFLCPFBSZCMDQ-UHFFFAOYSA-N
XLogP2.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate (CID 19790577) is (2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate is CC1(C)CC(OC(=O)c2ccncc2)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate?
The InChIKey is KJFLCPFBSZCMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2)9-12(10-15(3,4)17-14)19-13(18)11-5-7-16-8-6-11/h5-8,12,17H,9-10H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate?
(2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate is sourced from PubChem (CID 19790577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).