2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide

C16H24N4O — CID 70329390

IUPAC2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide
SMILESC=C(c1ccccc1C(=O)NN)C1CCN(CCN)CC1
InChIInChI=1S/C16H24N4O/c1-12(13-6-9-20(10-7-13)11-8-17)14-4-2-3-5-15(14)16(21)19-18/h2-5,13H,1,6-11,17-18H2,(H,19,21)
InChIKeyFZYPXMUECQJPOK-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.97
Rot. Bonds5

About 2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide

2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide (PubChem CID 70329390) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide.

Molecular Properties

Compound Name2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide
PubChem CID70329390
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide
SMILESC=C(c1ccccc1C(=O)NN)C1CCN(CCN)CC1
InChIInChI=1S/C16H24N4O/c1-12(13-6-9-20(10-7-13)11-8-17)14-4-2-3-5-15(14)16(21)19-18/h2-5,13H,1,6-11,17-18H2,(H,19,21)
InChIKeyFZYPXMUECQJPOK-UHFFFAOYSA-N
XLogP0.97
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide?
The IUPAC name of 2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide (CID 70329390) is 2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide.
What is the SMILES notation for 2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide?
The canonical SMILES for 2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide is C=C(c1ccccc1C(=O)NN)C1CCN(CCN)CC1.
What is the InChIKey of 2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide?
The InChIKey is FZYPXMUECQJPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(13-6-9-20(10-7-13)11-8-17)14-4-2-3-5-15(14)16(21)19-18/h2-5,13H,1,6-11,17-18H2,(H,19,21).
What are the key properties of 2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide?
2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide has a molecular weight of 288.39 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-aminoethyl)piperidin-4-yl]ethenyl]benzohydrazide is sourced from PubChem (CID 70329390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).