8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine

C15H18F2N4 — CID 170331763

IUPAC8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine
SMILESCc1cc2cc(N)cc(N3CCC(F)(F)CC3)c2nc1N
InChIInChI=1S/C15H18F2N4/c1-9-6-10-7-11(18)8-12(13(10)20-14(9)19)21-4-2-15(16,17)3-5-21/h6-8H,2-5,18H2,1H3,(H2,19,20)
InChIKeyLBPRUCGQKSSSRC-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.94
Rot. Bonds1

About 8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine

8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine (PubChem CID 170331763) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine.

Molecular Properties

Compound Name8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine
PubChem CID170331763
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine
SMILESCc1cc2cc(N)cc(N3CCC(F)(F)CC3)c2nc1N
InChIInChI=1S/C15H18F2N4/c1-9-6-10-7-11(18)8-12(13(10)20-14(9)19)21-4-2-15(16,17)3-5-21/h6-8H,2-5,18H2,1H3,(H2,19,20)
InChIKeyLBPRUCGQKSSSRC-UHFFFAOYSA-N
XLogP2.94
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine?
The IUPAC name of 8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine (CID 170331763) is 8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine.
What is the SMILES notation for 8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine?
The canonical SMILES for 8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine is Cc1cc2cc(N)cc(N3CCC(F)(F)CC3)c2nc1N.
What is the InChIKey of 8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine?
The InChIKey is LBPRUCGQKSSSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-9-6-10-7-11(18)8-12(13(10)20-14(9)19)21-4-2-15(16,17)3-5-21/h6-8H,2-5,18H2,1H3,(H2,19,20).
What are the key properties of 8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine?
8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine has a molecular weight of 292.33 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-difluoropiperidin-1-yl)-3-methylquinoline-2,6-diamine is sourced from PubChem (CID 170331763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).