N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C16H18Cl2N4 — CID 119127375

IUPACN-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESClc1ccc(CNC2CCCN(c3cccnn3)C2)cc1Cl
InChIInChI=1S/C16H18Cl2N4/c17-14-6-5-12(9-15(14)18)10-19-13-3-2-8-22(11-13)16-4-1-7-20-21-16/h1,4-7,9,13,19H,2-3,8,10-11H2
InChIKeyXQHSJHIMXKSDOW-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.54
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 119127375) has the molecular formula C16H18Cl2N4 and a molecular weight of 337.25 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID119127375
Molecular FormulaC16H18Cl2N4
Molecular Weight337.25 g/mol
Exact Mass336.09
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESClc1ccc(CNC2CCCN(c3cccnn3)C2)cc1Cl
InChIInChI=1S/C16H18Cl2N4/c17-14-6-5-12(9-15(14)18)10-19-13-3-2-8-22(11-13)16-4-1-7-20-21-16/h1,4-7,9,13,19H,2-3,8,10-11H2
InChIKeyXQHSJHIMXKSDOW-UHFFFAOYSA-N
XLogP3.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119125297
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 129375184
N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127383
1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119125214
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127367
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 86898842
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127354
N-[(5-bromo-2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127371
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 119127375) is N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is Clc1ccc(CNC2CCCN(c3cccnn3)C2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is XQHSJHIMXKSDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4/c17-14-6-5-12(9-15(14)18)10-19-13-3-2-8-22(11-13)16-4-1-7-20-21-16/h1,4-7,9,13,19H,2-3,8,10-11H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 337.25 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 119127375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).