tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid

C16H25N3O4 — CID 174852709

IUPACtert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid
SMILESCC1CNCCN1C(=O)OC(C)(C)C.O=C(O)c1ccccn1
InChIInChI=1S/C10H20N2O2.C6H5NO2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4;8-6(9)5-3-1-2-4-7-5/h8,11H,5-7H2,1-4H3;1-4H,(H,8,9)
InChIKeyAIAFSZMTGKSRFF-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.00
Rot. Bonds1

About tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid

tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid (PubChem CID 174852709) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid.

Molecular Properties

Compound Nametert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid
PubChem CID174852709
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nametert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid
SMILESCC1CNCCN1C(=O)OC(C)(C)C.O=C(O)c1ccccn1
InChIInChI=1S/C10H20N2O2.C6H5NO2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4;8-6(9)5-3-1-2-4-7-5/h8,11H,5-7H2,1-4H3;1-4H,(H,8,9)
InChIKeyAIAFSZMTGKSRFF-UHFFFAOYSA-N
XLogP2.00
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate
CID 174681084
tert-butyl 3-oxo-2-pyridin-2-ylpiperazine-1-carboxylate
CID 131696376
2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one
CID 62673288
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carbonyl]benzoic acid
CID 141001092
2-O-benzyl 1-O-tert-butyl (2S)-piperazine-1,2-dicarboxylate
CID 67807458
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
tert-butyl hydrogen carbonate;2-methylpiperazine-1-carbonyl chloride
CID 175306279
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
tert-butyl 2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate
CID 121248826
tert-butyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541661
gadolinium;pyridine-2-carboxylic acid
CID 175231422
tert-butyl 2-pyrimidin-2-ylazetidine-1-carboxylate
CID 162700486

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid?
The IUPAC name of tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid (CID 174852709) is tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid.
What is the SMILES notation for tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid?
The canonical SMILES for tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid is CC1CNCCN1C(=O)OC(C)(C)C.O=C(O)c1ccccn1.
What is the InChIKey of tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid?
The InChIKey is AIAFSZMTGKSRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C6H5NO2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4;8-6(9)5-3-1-2-4-7-5/h8,11H,5-7H2,1-4H3;1-4H,(H,8,9).
What are the key properties of tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid?
tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid is sourced from PubChem (CID 174852709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).