methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate

C13H19N3O2 — CID 114075028

IUPACmethyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N2CCN(C)C(C)C2)c1
InChIInChI=1S/C13H19N3O2/c1-10-9-16(7-6-15(10)2)12-8-11(4-5-14-12)13(17)18-3/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyPHMIFUURNABVCC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.01
Rot. Bonds2

About methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate

methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate (PubChem CID 114075028) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate
PubChem CID114075028
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N2CCN(C)C(C)C2)c1
InChIInChI=1S/C13H19N3O2/c1-10-9-16(7-6-15(10)2)12-8-11(4-5-14-12)13(17)18-3/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyPHMIFUURNABVCC-UHFFFAOYSA-N
XLogP1.01
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 91579953
methyl 2-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]pyridine-4-carboxylate
CID 94616340
methyl 2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]pyridine-4-carboxylate
CID 94616339
methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate
CID 114075096
2,2-dimethylpropyl 4-(4-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 11992422
methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboxylate
CID 113220688
4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid
CID 114074932
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
methyl 2-(2-bromopiperidin-1-yl)pyridine-4-carboxylate
CID 175100446
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate (CID 114075028) is methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate is COC(=O)c1ccnc(N2CCN(C)C(C)C2)c1.
What is the InChIKey of methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate?
The InChIKey is PHMIFUURNABVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-9-16(7-6-15(10)2)12-8-11(4-5-14-12)13(17)18-3/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate?
methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 114075028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).