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

C10H19N4+ — CID 178146813

IUPACN-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium
SMILESC=C(C#[N+]C1CNCCC1NN)CC
InChIInChI=1S/C10H19N4/c1-3-8(2)6-13-10-7-12-5-4-9(10)14-11/h9-10,12,14H,2-5,7,11H2,1H3/q+1
InChIKeyMPCLUNMBDNGEDA-UHFFFAOYSA-N
MW195.29 g/mol
LogP0.48
Rot. Bonds2

About N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium

N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium (PubChem CID 178146813) has the molecular formula C10H19N4+ and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium.

Molecular Properties

Compound NameN-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium
PubChem CID178146813
Molecular FormulaC10H19N4+
Molecular Weight195.29 g/mol
Exact Mass195.16
IUPAC NameN-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium
SMILESC=C(C#[N+]C1CNCCC1NN)CC
InChIInChI=1S/C10H19N4/c1-3-8(2)6-13-10-7-12-5-4-9(10)14-11/h9-10,12,14H,2-5,7,11H2,1H3/q+1
InChIKeyMPCLUNMBDNGEDA-UHFFFAOYSA-N
XLogP0.48
TPSA54.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-Ethyl-1-piperidin-4-ylhydrazine;2-methylidenebutanenitrile
CID 178146708
[1-(1,4-Dimethylpiperazin-2-yl)-3-methylbut-3-enyl]hydrazine
CID 105247393
[1-(1,4-Dimethylpiperazin-2-yl)-2-methylprop-2-enyl]hydrazine
CID 105247402

Frequently Asked Questions

What is the IUPAC name of N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium?
The IUPAC name of N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium (CID 178146813) is N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium.
What is the SMILES notation for N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium?
The canonical SMILES for N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium is C=C(C#[N+]C1CNCCC1NN)CC.
What is the InChIKey of N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium?
The InChIKey is MPCLUNMBDNGEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N4/c1-3-8(2)6-13-10-7-12-5-4-9(10)14-11/h9-10,12,14H,2-5,7,11H2,1H3/q+1.
What are the key properties of N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium?
N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium has a molecular weight of 195.29 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydrazinylpiperidin-3-yl)-2-methylidenebutanenitrilium is sourced from PubChem (CID 178146813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).