N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine

C13H22ClN5 — CID 55127165

IUPACN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2nc(NN)ccc2Cl)C1
InChIInChI=1S/C13H22ClN5/c1-18-7-3-4-10(8-18)19(2)9-12-11(14)5-6-13(16-12)17-15/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyCGTYLNHCDAMXCW-UHFFFAOYSA-N
MW283.81 g/mol
LogP1.55
Rot. Bonds4

About N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 55127165) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID55127165
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2nc(NN)ccc2Cl)C1
InChIInChI=1S/C13H22ClN5/c1-18-7-3-4-10(8-18)19(2)9-12-11(14)5-6-13(16-12)17-15/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyCGTYLNHCDAMXCW-UHFFFAOYSA-N
XLogP1.55
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine (CID 55127165) is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)Cc2nc(NN)ccc2Cl)C1.
What is the InChIKey of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is CGTYLNHCDAMXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-18-7-3-4-10(8-18)19(2)9-12-11(14)5-6-13(16-12)17-15/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine?
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 283.81 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 55127165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).