4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine

C13H20ClN3 — CID 105067542

IUPAC4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine
SMILESCC1CN(c2cnccc2CCl)CC(C)N1C
InChIInChI=1S/C13H20ClN3/c1-10-8-17(9-11(2)16(10)3)13-7-15-5-4-12(13)6-14/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyBILKHWIGZMQWKP-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.35
Rot. Bonds2

About 4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine

4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine (PubChem CID 105067542) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine
PubChem CID105067542
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine
SMILESCC1CN(c2cnccc2CCl)CC(C)N1C
InChIInChI=1S/C13H20ClN3/c1-10-8-17(9-11(2)16(10)3)13-7-15-5-4-12(13)6-14/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyBILKHWIGZMQWKP-UHFFFAOYSA-N
XLogP2.35
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.35
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

3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine
CID 81237796
4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine
CID 105067410
4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine
CID 114846844
[3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 105066909
4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine
CID 105067424
4-[4-(chloromethyl)-3-pyridinyl]-2,2-dimethylmorpholine
CID 105067324
1-[4-(chloromethyl)-3-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 105067256
1-[4-(chloromethyl)-3-pyridinyl]-4-methyl-2-phenylpiperazine
CID 105067246
1-benzyl-4-[4-(chloromethyl)-3-pyridinyl]piperazine
CID 105067248
1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072641
4-[4-(chloromethyl)-2-fluorophenyl]-1,2,6-trimethylpiperazine
CID 114538487
N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072754

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine?
The IUPAC name of 4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine (CID 105067542) is 4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine is CC1CN(c2cnccc2CCl)CC(C)N1C.
What is the InChIKey of 4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine?
The InChIKey is BILKHWIGZMQWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-10-8-17(9-11(2)16(10)3)13-7-15-5-4-12(13)6-14/h4-5,7,10-11H,6,8-9H2,1-3H3.
What are the key properties of 4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine?
4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine has a molecular weight of 253.78 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine is sourced from PubChem (CID 105067542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).