tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate

C15H22ClN5O2 — CID 172973362

IUPACtert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(/C=N/Nc2cncc(Cl)n2)C1
InChIInChI=1S/C15H22ClN5O2/c1-15(2,3)23-14(22)21-6-4-5-11(10-21)7-18-20-13-9-17-8-12(16)19-13/h7-9,11H,4-6,10H2,1-3H3,(H,19,20)/b18-7+
InChIKeySFWCGERLWZCMLH-CNHKJKLMSA-N
MW339.83 g/mol
LogP3.17
Rot. Bonds3

About tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate

tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate (PubChem CID 172973362) has the molecular formula C15H22ClN5O2 and a molecular weight of 339.83 g/mol. Its IUPAC name is tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate
PubChem CID172973362
Molecular FormulaC15H22ClN5O2
Molecular Weight339.83 g/mol
Exact Mass339.15
IUPAC Nametert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(/C=N/Nc2cncc(Cl)n2)C1
InChIInChI=1S/C15H22ClN5O2/c1-15(2,3)23-14(22)21-6-4-5-11(10-21)7-18-20-13-9-17-8-12(16)19-13/h7-9,11H,4-6,10H2,1-3H3,(H,19,20)/b18-7+
InChIKeySFWCGERLWZCMLH-CNHKJKLMSA-N
XLogP3.17
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3S)-3-(2-methoxyethenyl)piperidine-1-carboxylate
CID 164591882
(E)-3-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]prop-2-enoic acid
CID 95386838
tert-butyl 3-(2,2-dibromoethenyl)piperidine-1-carboxylate
CID 86615128
tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
CID 95970009
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate
CID 158644505
tert-butyl (3S)-3-[(2-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 97172386
tert-butyl (3S)-3-[(2-chloro-5-formyl-4-pyridinyl)amino]piperidine-1-carboxylate
CID 166590506
tert-butyl (3R)-3-[(4-chloro-5-methylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97176747
tert-butyl 3-(3,4-dichloroanilino)piperidine-1-carboxylate
CID 103648711
tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 71302713
tert-butyl (3R)-3-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanylpiperidine-1-carboxylate
CID 97031839

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate (CID 172973362) is tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(/C=N/Nc2cncc(Cl)n2)C1.
What is the InChIKey of tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate?
The InChIKey is SFWCGERLWZCMLH-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H22ClN5O2/c1-15(2,3)23-14(22)21-6-4-5-11(10-21)7-18-20-13-9-17-8-12(16)19-13/h7-9,11H,4-6,10H2,1-3H3,(H,19,20)/b18-7+.
What are the key properties of tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate?
tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate has a molecular weight of 339.83 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(E)-[(6-chloropyrazin-2-yl)hydrazinylidene]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 172973362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).