4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine

C28H34N8 — CID 117088890

IUPAC4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2ccc3ncccc3c2)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C28H34N8/c1-3-36(4-2)28-33-26(30-23-14-17-35(18-15-23)20-21-9-6-5-7-10-21)32-27(34-28)31-24-12-13-25-22(19-24)11-8-16-29-25/h5-13,16,19,23H,3-4,14-15,17-18,20H2,1-2H3,(H2,30,31,32,33,34)
InChIKeySFCKGVDCZRFRSJ-UHFFFAOYSA-N
MW482.64 g/mol
LogP5.09
Rot. Bonds9

About 4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine

4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 117088890) has the molecular formula C28H34N8 and a molecular weight of 482.64 g/mol. Its IUPAC name is 4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID117088890
Molecular FormulaC28H34N8
Molecular Weight482.64 g/mol
Exact Mass482.29
IUPAC Name4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2ccc3ncccc3c2)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C28H34N8/c1-3-36(4-2)28-33-26(30-23-14-17-35(18-15-23)20-21-9-6-5-7-10-21)32-27(34-28)31-24-12-13-25-22(19-24)11-8-16-29-25/h5-13,16,19,23H,3-4,14-15,17-18,20H2,1-2H3,(H2,30,31,32,33,34)
InChIKeySFCKGVDCZRFRSJ-UHFFFAOYSA-N
XLogP5.09
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.64
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
CID 117086792
4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 117090153
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 134108561
4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen
CID 157241752
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117086991
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117080182
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 10297777
4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536242

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine (CID 117088890) is 4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(Nc2ccc3ncccc3c2)nc(NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SFCKGVDCZRFRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8/c1-3-36(4-2)28-33-26(30-23-14-17-35(18-15-23)20-21-9-6-5-7-10-21)32-27(34-28)31-24-12-13-25-22(19-24)11-8-16-29-25/h5-13,16,19,23H,3-4,14-15,17-18,20H2,1-2H3,(H2,30,31,32,33,34).
What are the key properties of 4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine?
4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 482.64 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 117088890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).