4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid

C13H18N2O3 — CID 81225049

IUPAC4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
SMILESCN1CCCCC1COc1ccncc1C(=O)O
InChIInChI=1S/C13H18N2O3/c1-15-7-3-2-4-10(15)9-18-12-5-6-14-8-11(12)13(16)17/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyWZWAOSFULDNFCH-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.64
Rot. Bonds4

About 4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid

4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid (PubChem CID 81225049) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
PubChem CID81225049
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
SMILESCN1CCCCC1COc1ccncc1C(=O)O
InChIInChI=1S/C13H18N2O3/c1-15-7-3-2-4-10(15)9-18-12-5-6-14-8-11(12)13(16)17/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyWZWAOSFULDNFCH-UHFFFAOYSA-N
XLogP1.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid (CID 81225049) is 4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid is CN1CCCCC1COc1ccncc1C(=O)O.
What is the InChIKey of 4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is WZWAOSFULDNFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15-7-3-2-4-10(15)9-18-12-5-6-14-8-11(12)13(16)17/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,17).
What are the key properties of 4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid?
4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 81225049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).