2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine

C15H17ClN4 — CID 2838383

IUPAC2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine
SMILESClc1ccc(CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C15H17ClN4/c16-14-4-2-13(3-5-14)12-19-8-10-20(11-9-19)15-17-6-1-7-18-15/h1-7H,8-12H2
InChIKeyVFBKWRDWFCQRHN-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.45
Rot. Bonds3

About 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 2838383) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID2838383
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine
SMILESClc1ccc(CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C15H17ClN4/c16-14-4-2-13(3-5-14)12-19-8-10-20(11-9-19)15-17-6-1-7-18-15/h1-7H,8-12H2
InChIKeyVFBKWRDWFCQRHN-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine (CID 2838383) is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine is Clc1ccc(CN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is VFBKWRDWFCQRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-14-4-2-13(3-5-14)12-19-8-10-20(11-9-19)15-17-6-1-7-18-15/h1-7H,8-12H2.
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 288.78 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 2838383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).