1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine

C17H19Cl2N3 — CID 4594125

IUPAC1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1ccc(C(c2ccc(Cl)cc2Cl)N2CCNCC2)nc1
InChIInChI=1S/C17H19Cl2N3/c1-12-2-5-16(21-11-12)17(22-8-6-20-7-9-22)14-4-3-13(18)10-15(14)19/h2-5,10-11,17,20H,6-9H2,1H3
InChIKeyYOFWQZXVYRSIBH-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.69
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine

1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 4594125) has the molecular formula C17H19Cl2N3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
PubChem CID4594125
Molecular FormulaC17H19Cl2N3
Molecular Weight336.27 g/mol
Exact Mass335.10
IUPAC Name1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1ccc(C(c2ccc(Cl)cc2Cl)N2CCNCC2)nc1
InChIInChI=1S/C17H19Cl2N3/c1-12-2-5-16(21-11-12)17(22-8-6-20-7-9-22)14-4-3-13(18)10-15(14)19/h2-5,10-11,17,20H,6-9H2,1H3
InChIKeyYOFWQZXVYRSIBH-UHFFFAOYSA-N
XLogP3.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3567529
1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3251232
1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 3580292
1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine
CID 3272834
1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
CID 5017511
1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine
CID 4738696
2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4574203
1-[(5-methyl-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4586883
1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 3721209
1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 3541146
4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline
CID 4209519

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine (CID 4594125) is 1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine is Cc1ccc(C(c2ccc(Cl)cc2Cl)N2CCNCC2)nc1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is YOFWQZXVYRSIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3/c1-12-2-5-16(21-11-12)17(22-8-6-20-7-9-22)14-4-3-13(18)10-15(14)19/h2-5,10-11,17,20H,6-9H2,1H3.
What are the key properties of 1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine?
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 336.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 4594125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).