4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine

C16H26ClN3 — CID 114538908

IUPAC4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine
SMILESCC(C)c1cc(CCl)cc(N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C16H26ClN3/c1-11(2)15-6-14(8-17)7-16(18-15)20-9-12(3)19(5)13(4)10-20/h6-7,11-13H,8-10H2,1-5H3
InChIKeyHCSWPJNXVGMXFZ-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.47
Rot. Bonds3

About 4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine

4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine (PubChem CID 114538908) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine
PubChem CID114538908
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine
SMILESCC(C)c1cc(CCl)cc(N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C16H26ClN3/c1-11(2)15-6-14(8-17)7-16(18-15)20-9-12(3)19(5)13(4)10-20/h6-7,11-13H,8-10H2,1-5H3
InChIKeyHCSWPJNXVGMXFZ-UHFFFAOYSA-N
XLogP3.47
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4-dimethylpyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 113381419
4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-7,7-dimethyl-1,4-thiazepane
CID 107458292
[2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 103539567
2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541833
2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine
CID 114539092
N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114539964
1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole
CID 103501443
[2-(3,3-dimethylpyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanol
CID 113380527
[2-(3-methylmorpholin-4-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 113381355
4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine
CID 114846844
4-[4-(chloromethyl)-2-fluorophenyl]-1,2,6-trimethylpiperazine
CID 114538487
[2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine
CID 106589236

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine?
The IUPAC name of 4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine (CID 114538908) is 4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine is CC(C)c1cc(CCl)cc(N2CC(C)N(C)C(C)C2)n1.
What is the InChIKey of 4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine?
The InChIKey is HCSWPJNXVGMXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-11(2)15-6-14(8-17)7-16(18-15)20-9-12(3)19(5)13(4)10-20/h6-7,11-13H,8-10H2,1-5H3.
What are the key properties of 4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine?
4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine has a molecular weight of 295.86 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-1,2,6-trimethylpiperazine is sourced from PubChem (CID 114538908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).