1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine

C18H20ClN3 — CID 2343964

IUPAC1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine
SMILESClc1ccc(NNC2=CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H20ClN3/c19-16-6-8-17(9-7-16)20-21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-10,20-21H,11-14H2
InChIKeyHUBXQZKDLYDROP-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.05
Rot. Bonds5

About 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine

1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine (PubChem CID 2343964) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine.

Molecular Properties

Compound Name1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine
PubChem CID2343964
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine
SMILESClc1ccc(NNC2=CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H20ClN3/c19-16-6-8-17(9-7-16)20-21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-10,20-21H,11-14H2
InChIKeyHUBXQZKDLYDROP-UHFFFAOYSA-N
XLogP4.05
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)hydrazine
CID 2343955
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491
N-(4-chlorophenyl)-1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20929929
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 22499416
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine
CID 11821785
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 19900296
1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
CID 141269608
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine
CID 23435960
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine;2-chloropropane;dihydrochloride
CID 75485433
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine
CID 117205735
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane
CID 143581792

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine?
The IUPAC name of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine (CID 2343964) is 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine.
What is the SMILES notation for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine?
The canonical SMILES for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine is Clc1ccc(NNC2=CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine?
The InChIKey is HUBXQZKDLYDROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3/c19-16-6-8-17(9-7-16)20-21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-10,20-21H,11-14H2.
What are the key properties of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine?
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine has a molecular weight of 313.83 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-chlorophenyl)hydrazine is sourced from PubChem (CID 2343964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).