1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid

C14H22N6O2 — CID 155415211

IUPAC1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid
SMILESCN1CCN(c2ncnc(N3CCC(C(=O)O)CC3)n2)CC1
InChIInChI=1S/C14H22N6O2/c1-18-6-8-20(9-7-18)14-16-10-15-13(17-14)19-4-2-11(3-5-19)12(21)22/h10-11H,2-9H2,1H3,(H,21,22)
InChIKeyHXEIEBGPFILPDW-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.08
Rot. Bonds3

About 1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid

1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid (PubChem CID 155415211) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid
PubChem CID155415211
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid
SMILESCN1CCN(c2ncnc(N3CCC(C(=O)O)CC3)n2)CC1
InChIInChI=1S/C14H22N6O2/c1-18-6-8-20(9-7-18)14-16-10-15-13(17-14)19-4-2-11(3-5-19)12(21)22/h10-11H,2-9H2,1H3,(H,21,22)
InChIKeyHXEIEBGPFILPDW-UHFFFAOYSA-N
XLogP-0.08
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid (CID 155415211) is 1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid is CN1CCN(c2ncnc(N3CCC(C(=O)O)CC3)n2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid?
The InChIKey is HXEIEBGPFILPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-18-6-8-20(9-7-18)14-16-10-15-13(17-14)19-4-2-11(3-5-19)12(21)22/h10-11H,2-9H2,1H3,(H,21,22).
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid?
1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 155415211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).