3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid

C13H18N2O2 — CID 105062853

IUPAC3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid
SMILESC[C@@H]1CCC[C@H](C)N1c1cnccc1C(=O)O
InChIInChI=1S/C13H18N2O2/c1-9-4-3-5-10(2)15(9)12-8-14-7-6-11(12)13(16)17/h6-10H,3-5H2,1-2H3,(H,16,17)/t9-,10+
InChIKeyVHGIQDHZFATJDR-AOOOYVTPSA-N
MW234.30 g/mol
LogP2.55
Rot. Bonds2

About 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid

3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 105062853) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid
PubChem CID105062853
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid
SMILESC[C@@H]1CCC[C@H](C)N1c1cnccc1C(=O)O
InChIInChI=1S/C13H18N2O2/c1-9-4-3-5-10(2)15(9)12-8-14-7-6-11(12)13(16)17/h6-10H,3-5H2,1-2H3,(H,16,17)/t9-,10+
InChIKeyVHGIQDHZFATJDR-AOOOYVTPSA-N
XLogP2.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid (CID 105062853) is 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid is C[C@@H]1CCC[C@H](C)N1c1cnccc1C(=O)O.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is VHGIQDHZFATJDR-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-3-5-10(2)15(9)12-8-14-7-6-11(12)13(16)17/h6-10H,3-5H2,1-2H3,(H,16,17)/t9-,10+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid?
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 105062853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).