(1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate

C13H18N2O2 — CID 23904865

IUPAC(1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate
SMILESCN1CCCCC1COC(=O)c1ccncc1
InChIInChI=1S/C13H18N2O2/c1-15-9-3-2-4-12(15)10-17-13(16)11-5-7-14-8-6-11/h5-8,12H,2-4,9-10H2,1H3
InChIKeyOEMVLPOOHBXBHM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.72
Rot. Bonds3

About (1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate

(1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate (PubChem CID 23904865) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate
PubChem CID23904865
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate
SMILESCN1CCCCC1COC(=O)c1ccncc1
InChIInChI=1S/C13H18N2O2/c1-15-9-3-2-4-12(15)10-17-13(16)11-5-7-14-8-6-11/h5-8,12H,2-4,9-10H2,1H3
InChIKeyOEMVLPOOHBXBHM-UHFFFAOYSA-N
XLogP1.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 81225049
(1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate
CID 19794452
3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid
CID 65469620
4-[(1-methylpiperidin-2-yl)methoxy]pyridin-3-amine
CID 65472260
(1-methylpyrrolidin-2-yl)methyl 3,6-dichloro-2-hydroxybenzoate
CID 169177800
[4-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 81250968
6-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 65471120
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid
CID 107554961
(1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 5146689
methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate
CID 114409060
2-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-sulfonamide
CID 112573106
[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
CID 46213709

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate?
The IUPAC name of (1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate (CID 23904865) is (1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate.
What is the SMILES notation for (1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate?
The canonical SMILES for (1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate is CN1CCCCC1COC(=O)c1ccncc1.
What is the InChIKey of (1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate?
The InChIKey is OEMVLPOOHBXBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-9-3-2-4-12(15)10-17-13(16)11-5-7-14-8-6-11/h5-8,12H,2-4,9-10H2,1H3.
What are the key properties of (1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate?
(1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate is sourced from PubChem (CID 23904865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).