methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate

C14H21N3O2 — CID 114198428

IUPACmethyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
SMILESCCN1CCN(Cc2ncccc2C(=O)OC)CC1
InChIInChI=1S/C14H21N3O2/c1-3-16-7-9-17(10-8-16)11-13-12(14(18)19-2)5-4-6-15-13/h4-6H,3,7-11H2,1-2H3
InChIKeyJPXHXQOTTHASFA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.01
Rot. Bonds4

About methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate

methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate (PubChem CID 114198428) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
PubChem CID114198428
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
SMILESCCN1CCN(Cc2ncccc2C(=O)OC)CC1
InChIInChI=1S/C14H21N3O2/c1-3-16-7-9-17(10-8-16)11-13-12(14(18)19-2)5-4-6-15-13/h4-6H,3,7-11H2,1-2H3
InChIKeyJPXHXQOTTHASFA-UHFFFAOYSA-N
XLogP1.01
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridine-3-carboxylate
CID 114198478
methyl 2-[(4-methylazepan-1-yl)methyl]pyridine-3-carboxylate
CID 114198518
methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate
CID 114198822
methyl 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]pyridine-3-carboxylate
CID 114198562
methyl 2-(4-ethylpiperazin-1-yl)benzoate
CID 99973041
methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate
CID 141006469
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
CID 62000109
methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000868
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate
CID 56887063
methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate
CID 114198795
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate (CID 114198428) is methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate is CCN1CCN(Cc2ncccc2C(=O)OC)CC1.
What is the InChIKey of methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate?
The InChIKey is JPXHXQOTTHASFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-16-7-9-17(10-8-16)11-13-12(14(18)19-2)5-4-6-15-13/h4-6H,3,7-11H2,1-2H3.
What are the key properties of methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate?
methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 114198428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).