ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate

C14H22N4O2 — CID 62245302

IUPACethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccc(NN)nc1
InChIInChI=1S/C14H22N4O2/c1-2-20-14(19)12-5-3-4-8-18(12)10-11-6-7-13(17-15)16-9-11/h6-7,9,12H,2-5,8,10,15H2,1H3,(H,16,17)
InChIKeyDBDOHPBCXADFJQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.28
Rot. Bonds5

About ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate

ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate (PubChem CID 62245302) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate
PubChem CID62245302
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nameethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccc(NN)nc1
InChIInChI=1S/C14H22N4O2/c1-2-20-14(19)12-5-3-4-8-18(12)10-11-6-7-13(17-15)16-9-11/h6-7,9,12H,2-5,8,10,15H2,1H3,(H,16,17)
InChIKeyDBDOHPBCXADFJQ-UHFFFAOYSA-N
XLogP1.28
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
CID 2838481
(6-chloro-3-pyridinyl)methyl (2S)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 86329287
ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate
CID 40633764
ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471209
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl 1-[(5-bromo-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 113222665
[5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 102728191
ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 7446357
ethyl (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 792510
ethyl (2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
CID 765373

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate (CID 62245302) is ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1ccc(NN)nc1.
What is the InChIKey of ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate?
The InChIKey is DBDOHPBCXADFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-20-14(19)12-5-3-4-8-18(12)10-11-6-7-13(17-15)16-9-11/h6-7,9,12H,2-5,8,10,15H2,1H3,(H,16,17).
What are the key properties of ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate?
ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 62245302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).