5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine

C20H28N6 — CID 112946013

IUPAC5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCN1CCN(c2nncc(N3CCC(Cc4ccccc4)CC3)n2)CC1
InChIInChI=1S/C20H28N6/c1-24-11-13-26(14-12-24)20-22-19(16-21-23-20)25-9-7-18(8-10-25)15-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3
InChIKeyXBIMKMXXWZAPIT-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.08
Rot. Bonds4

About 5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine

5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 112946013) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
PubChem CID112946013
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCN1CCN(c2nncc(N3CCC(Cc4ccccc4)CC3)n2)CC1
InChIInChI=1S/C20H28N6/c1-24-11-13-26(14-12-24)20-22-19(16-21-23-20)25-9-7-18(8-10-25)15-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3
InChIKeyXBIMKMXXWZAPIT-UHFFFAOYSA-N
XLogP2.08
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-benzylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945803
5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945981
3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine
CID 112960327
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 112888435
3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112959555
5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112951205
3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 112960343
4-benzyl-1-methylpiperidine;ethane
CID 142009767
2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112950640
4-benzyl-1-methylazepane
CID 123177845

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine (CID 112946013) is 5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine is CN1CCN(c2nncc(N3CCC(Cc4ccccc4)CC3)n2)CC1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is XBIMKMXXWZAPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-24-11-13-26(14-12-24)20-22-19(16-21-23-20)25-9-7-18(8-10-25)15-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 352.49 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 112946013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).