1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine

C12H17ClFN3 — CID 139405281

IUPAC1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine
SMILESCC1CN(C)CC(C)N1c1ccc(Cl)c(F)n1
InChIInChI=1S/C12H17ClFN3/c1-8-6-16(3)7-9(2)17(8)11-5-4-10(13)12(14)15-11/h4-5,8-9H,6-7H2,1-3H3
InChIKeyKTWMCHWSODEOMD-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.40
Rot. Bonds1

About 1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine

1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine (PubChem CID 139405281) has the molecular formula C12H17ClFN3 and a molecular weight of 257.74 g/mol. Its IUPAC name is 1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine
PubChem CID139405281
Molecular FormulaC12H17ClFN3
Molecular Weight257.74 g/mol
Exact Mass257.11
IUPAC Name1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine
SMILESCC1CN(C)CC(C)N1c1ccc(Cl)c(F)n1
InChIInChI=1S/C12H17ClFN3/c1-8-6-16(3)7-9(2)17(8)11-5-4-10(13)12(14)15-11/h4-5,8-9H,6-7H2,1-3H3
InChIKeyKTWMCHWSODEOMD-UHFFFAOYSA-N
XLogP2.40
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine
CID 139405266
(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine
CID 139405262
[3-chloro-6-(2,4-dimethyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine
CID 114087664
2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 134114109
3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
[3-chloro-6-(2,4-dimethylpiperazin-1-yl)-2-fluoro-4-pyridinyl]carbamic acid
CID 155227649
4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine
CID 11514596
4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine
CID 71195511
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80735813
4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine
CID 177274249
3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 114593616
[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol
CID 83220671

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine?
The IUPAC name of 1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine (CID 139405281) is 1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine.
What is the SMILES notation for 1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine?
The canonical SMILES for 1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine is CC1CN(C)CC(C)N1c1ccc(Cl)c(F)n1.
What is the InChIKey of 1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine?
The InChIKey is KTWMCHWSODEOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3/c1-8-6-16(3)7-9(2)17(8)11-5-4-10(13)12(14)15-11/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine?
1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine has a molecular weight of 257.74 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine is sourced from PubChem (CID 139405281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).