1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile

C12H24N4 — CID 178146708

IUPAC1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile
SMILESC=C(C#N)CC.CCN(N)C1CCNCC1
InChIInChI=1S/C7H17N3.C5H7N/c1-2-10(8)7-3-5-9-6-4-7;1-3-5(2)4-6/h7,9H,2-6,8H2,1H3;2-3H2,1H3
InChIKeyGMGPZDZYHOMNJY-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds3

About 1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile

1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile (PubChem CID 178146708) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile.

Molecular Properties

Compound Name1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile
PubChem CID178146708
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile
SMILESC=C(C#N)CC.CCN(N)C1CCNCC1
InChIInChI=1S/C7H17N3.C5H7N/c1-2-10(8)7-3-5-9-6-4-7;1-3-5(2)4-6/h7,9H,2-6,8H2,1H3;2-3H2,1H3
InChIKeyGMGPZDZYHOMNJY-UHFFFAOYSA-N
XLogP1.41
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile 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

N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium
CID 178146813

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile?
The IUPAC name of 1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile (CID 178146708) is 1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile.
What is the SMILES notation for 1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile?
The canonical SMILES for 1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile is C=C(C#N)CC.CCN(N)C1CCNCC1.
What is the InChIKey of 1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile?
The InChIKey is GMGPZDZYHOMNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3.C5H7N/c1-2-10(8)7-3-5-9-6-4-7;1-3-5(2)4-6/h7,9H,2-6,8H2,1H3;2-3H2,1H3.
What are the key properties of 1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile?
1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile has a molecular weight of 224.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile is sourced from PubChem (CID 178146708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).