2-(4-benzylpiperazin-1-yl)pyrimidine

C15H18N4 — CID 3716622

IUPAC2-(4-benzylpiperazin-1-yl)pyrimidine
SMILESc1ccc(CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C15H18N4/c1-2-5-14(6-3-1)13-18-9-11-19(12-10-18)15-16-7-4-8-17-15/h1-8H,9-13H2
InChIKeyKPSYTYUUIPYPQX-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.80
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)pyrimidine

2-(4-benzylpiperazin-1-yl)pyrimidine (PubChem CID 3716622) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)pyrimidine
PubChem CID3716622
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-(4-benzylpiperazin-1-yl)pyrimidine
SMILESc1ccc(CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C15H18N4/c1-2-5-14(6-3-1)13-18-9-11-19(12-10-18)15-16-7-4-8-17-15/h1-8H,9-13H2
InChIKeyKPSYTYUUIPYPQX-UHFFFAOYSA-N
XLogP1.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)pyrimidine (CID 3716622) is 2-(4-benzylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)pyrimidine is c1ccc(CN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)pyrimidine?
The InChIKey is KPSYTYUUIPYPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-5-14(6-3-1)13-18-9-11-19(12-10-18)15-16-7-4-8-17-15/h1-8H,9-13H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)pyrimidine?
2-(4-benzylpiperazin-1-yl)pyrimidine has a molecular weight of 254.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 3716622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).