2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine

C19H25FN4 — CID 10616265

IUPAC2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine
SMILESCCN(c1nc(F)ccc1N)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25FN4/c1-2-24(19-17(21)8-9-18(20)22-19)16-10-12-23(13-11-16)14-15-6-4-3-5-7-15/h3-9,16H,2,10-14,21H2,1H3
InChIKeyNIDREGWZAYFVTN-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.29
Rot. Bonds5

About 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine

2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine (PubChem CID 10616265) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine
PubChem CID10616265
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine
SMILESCCN(c1nc(F)ccc1N)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25FN4/c1-2-24(19-17(21)8-9-18(20)22-19)16-10-12-23(13-11-16)14-15-6-4-3-5-7-15/h3-9,16H,2,10-14,21H2,1H3
InChIKeyNIDREGWZAYFVTN-UHFFFAOYSA-N
XLogP3.29
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.29
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)-2-N-ethyl-6-fluoropyridine-2,3-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine (CID 10616265) is 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine is CCN(c1nc(F)ccc1N)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine?
The InChIKey is NIDREGWZAYFVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4/c1-2-24(19-17(21)8-9-18(20)22-19)16-10-12-23(13-11-16)14-15-6-4-3-5-7-15/h3-9,16H,2,10-14,21H2,1H3.
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine?
2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoropyridine-2,3-diamine has a molecular weight of 328.44 g/mol, XLogP of 3.29, 5 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)-2-N-ethyl-6-fluoropyridine-2,3-diamine is sourced from PubChem (CID 10616265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).