N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

C17H18ClF3N4 — CID 66879334

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nn1
InChIInChI=1S/C17H18ClF3N4/c18-13-3-1-12(2-4-13)11-25-9-7-14(8-10-25)22-16-6-5-15(23-24-16)17(19,20)21/h1-6,14H,7-11H2,(H,22,24)
InChIKeyXCXDPFKYZOJYCN-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.23
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 66879334) has the molecular formula C17H18ClF3N4 and a molecular weight of 370.81 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID66879334
Molecular FormulaC17H18ClF3N4
Molecular Weight370.81 g/mol
Exact Mass370.12
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nn1
InChIInChI=1S/C17H18ClF3N4/c18-13-3-1-12(2-4-13)11-25-9-7-14(8-10-25)22-16-6-5-15(23-24-16)17(19,20)21/h1-6,14H,7-11H2,(H,22,24)
InChIKeyXCXDPFKYZOJYCN-UHFFFAOYSA-N
XLogP4.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine (CID 66879334) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nn1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is XCXDPFKYZOJYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4/c18-13-3-1-12(2-4-13)11-25-9-7-14(8-10-25)22-16-6-5-15(23-24-16)17(19,20)21/h1-6,14H,7-11H2,(H,22,24).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 370.81 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 66879334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).