4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C24H26ClF3N8 — CID 11519212

IUPAC4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCN(c4ncccc4Cl)CC3)n2)cc1
InChIInChI=1S/C24H26ClF3N8/c25-19-5-4-10-29-20(19)34-13-15-36(16-14-34)23-32-21(31-22(33-23)35-11-2-1-3-12-35)30-18-8-6-17(7-9-18)24(26,27)28/h4-10H,1-3,11-16H2,(H,30,31,32,33)
InChIKeyQVLOMKBQNCBYKA-UHFFFAOYSA-N
MW518.98 g/mol
LogP5.00
Rot. Bonds5

About 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 11519212) has the molecular formula C24H26ClF3N8 and a molecular weight of 518.98 g/mol. Its IUPAC name is 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID11519212
Molecular FormulaC24H26ClF3N8
Molecular Weight518.98 g/mol
Exact Mass518.19
IUPAC Name4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCN(c4ncccc4Cl)CC3)n2)cc1
InChIInChI=1S/C24H26ClF3N8/c25-19-5-4-10-29-20(19)34-13-15-36(16-14-34)23-32-21(31-22(33-23)35-11-2-1-3-12-35)30-18-8-6-17(7-9-18)24(26,27)28/h4-10H,1-3,11-16H2,(H,30,31,32,33)
InChIKeyQVLOMKBQNCBYKA-UHFFFAOYSA-N
XLogP5.00
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.98
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 11519212) is 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is FC(F)(F)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCN(c4ncccc4Cl)CC3)n2)cc1.
What is the InChIKey of 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is QVLOMKBQNCBYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N8/c25-19-5-4-10-29-20(19)34-13-15-36(16-14-34)23-32-21(31-22(33-23)35-11-2-1-3-12-35)30-18-8-6-17(7-9-18)24(26,27)28/h4-10H,1-3,11-16H2,(H,30,31,32,33).
What are the key properties of 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 518.98 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 11519212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).