2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine

C18H23FN4 — CID 10519343

IUPAC2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine
SMILESCN(c1nc(F)ccc1N)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H23FN4/c1-22(18-16(20)7-8-17(19)21-18)15-9-11-23(12-10-15)13-14-5-3-2-4-6-14/h2-8,15H,9-13,20H2,1H3
InChIKeyHWEQDYOFIRKYCL-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.90
Rot. Bonds4

About 2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine

2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine (PubChem CID 10519343) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine
PubChem CID10519343
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine
SMILESCN(c1nc(F)ccc1N)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H23FN4/c1-22(18-16(20)7-8-17(19)21-18)15-9-11-23(12-10-15)13-14-5-3-2-4-6-14/h2-8,15H,9-13,20H2,1H3
InChIKeyHWEQDYOFIRKYCL-UHFFFAOYSA-N
XLogP2.90
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine (CID 10519343) is 2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine is CN(c1nc(F)ccc1N)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine?
The InChIKey is HWEQDYOFIRKYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-22(18-16(20)7-8-17(19)21-18)15-9-11-23(12-10-15)13-14-5-3-2-4-6-14/h2-8,15H,9-13,20H2,1H3.
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine?
2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine has a molecular weight of 314.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-6-fluoro-2-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 10519343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).