N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine

C12H21N5 — CID 114506746

IUPACN-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine
SMILESCC1CN(C)CCC1Nc1ccnc(NN)c1
InChIInChI=1S/C12H21N5/c1-9-8-17(2)6-4-11(9)15-10-3-5-14-12(7-10)16-13/h3,5,7,9,11H,4,6,8,13H2,1-2H3,(H2,14,15,16)
InChIKeyJZEVMQINMJUIAM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.12
Rot. Bonds3

About N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine

N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine (PubChem CID 114506746) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine
PubChem CID114506746
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine
SMILESCC1CN(C)CCC1Nc1ccnc(NN)c1
InChIInChI=1S/C12H21N5/c1-9-8-17(2)6-4-11(9)15-10-3-5-14-12(7-10)16-13/h3,5,7,9,11H,4,6,8,13H2,1-2H3,(H2,14,15,16)
InChIKeyJZEVMQINMJUIAM-UHFFFAOYSA-N
XLogP1.12
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine (CID 114506746) is N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine is CC1CN(C)CCC1Nc1ccnc(NN)c1.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine?
The InChIKey is JZEVMQINMJUIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9-8-17(2)6-4-11(9)15-10-3-5-14-12(7-10)16-13/h3,5,7,9,11H,4,6,8,13H2,1-2H3,(H2,14,15,16).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine?
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine is sourced from PubChem (CID 114506746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).