methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate

C15H23N3O2 — CID 123447312

IUPACmethyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC(C)(NN)CC2)cc1
InChIInChI=1S/C15H23N3O2/c1-15(17-16)7-9-18(10-8-15)11-12-3-5-13(6-4-12)14(19)20-2/h3-6,17H,7-11,16H2,1-2H3
InChIKeyMUUFNAONJMOFFY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.29
Rot. Bonds4

About methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate

methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate (PubChem CID 123447312) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate
PubChem CID123447312
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC(C)(NN)CC2)cc1
InChIInChI=1S/C15H23N3O2/c1-15(17-16)7-9-18(10-8-15)11-12-3-5-13(6-4-12)14(19)20-2/h3-6,17H,7-11,16H2,1-2H3
InChIKeyMUUFNAONJMOFFY-UHFFFAOYSA-N
XLogP1.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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CID 10466592
methyl 4-[[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]benzoate
CID 164690954
methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate
CID 129109029
methyl 4-[(4-cyclopropylpiperazin-1-yl)methyl]benzoate
CID 61441365
methyl 4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate
CID 27128637
methyl 4-(1,4-thiazepan-4-ylmethyl)benzoate
CID 61419246
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
CID 23724015
methyl 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]benzoate
CID 79038440
methyl 4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzoate
CID 8690662
methyl 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-3-carboxylate
CID 112730539

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate (CID 123447312) is methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate is COC(=O)c1ccc(CN2CCC(C)(NN)CC2)cc1.
What is the InChIKey of methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate?
The InChIKey is MUUFNAONJMOFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(17-16)7-9-18(10-8-15)11-12-3-5-13(6-4-12)14(19)20-2/h3-6,17H,7-11,16H2,1-2H3.
What are the key properties of methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate?
methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate has a molecular weight of 277.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate is sourced from PubChem (CID 123447312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).