2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine

C15H16Cl2N4 — CID 2838565

IUPAC2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine
SMILESClc1ccc(CN2CCN(c3ncccn3)CC2)cc1Cl
InChIInChI=1S/C15H16Cl2N4/c16-13-3-2-12(10-14(13)17)11-20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2
InChIKeyYOXIJFQFIWMLSV-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.11
Rot. Bonds3

About 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 2838565) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID2838565
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine
SMILESClc1ccc(CN2CCN(c3ncccn3)CC2)cc1Cl
InChIInChI=1S/C15H16Cl2N4/c16-13-3-2-12(10-14(13)17)11-20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2
InChIKeyYOXIJFQFIWMLSV-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine (CID 2838565) is 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine is Clc1ccc(CN2CCN(c3ncccn3)CC2)cc1Cl.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is YOXIJFQFIWMLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c16-13-3-2-12(10-14(13)17)11-20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2.
What are the key properties of 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 323.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 2838565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).