2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine

C13H21FN4 — CID 55128004

IUPAC2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C13H21FN4/c1-16(2)6-7-17-8-10-18(11-9-17)13-5-3-4-12(14)15-13/h3-5H,6-11H2,1-2H3
InChIKeyBMSINQPLZDWQIF-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.90
Rot. Bonds4

About 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine

2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 55128004) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID55128004
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC Name2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C13H21FN4/c1-16(2)6-7-17-8-10-18(11-9-17)13-5-3-4-12(14)15-13/h3-5H,6-11H2,1-2H3
InChIKeyBMSINQPLZDWQIF-UHFFFAOYSA-N
XLogP0.90
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129
1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986345
2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 71294258
1-(6-fluoro-2-pyridinyl)-4-[3-(1H-imidazol-2-ylsulfanyl)propyl]piperazine
CID 71294293
1-benzyl-4-(6-fluoro-2-pyridinyl)-1,4-diazepane
CID 130624204
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 61229554
2-[5-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pentyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 71294040
2-(4-ethylpiperidin-1-yl)-6-fluoropyridine
CID 61397764
2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62888188
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920
3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187474
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-amine
CID 80647233

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine (CID 55128004) is 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(c2cccc(F)n2)CC1.
What is the InChIKey of 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is BMSINQPLZDWQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-16(2)6-7-17-8-10-18(11-9-17)13-5-3-4-12(14)15-13/h3-5H,6-11H2,1-2H3.
What are the key properties of 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 252.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 55128004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).