4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

C22H25ClN6 — CID 23536242

IUPAC4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1cccc(Cl)c1)c1ncnc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H25ClN6/c1-28(20-9-5-8-18(23)14-20)22-25-16-24-21(27-22)26-19-10-12-29(13-11-19)15-17-6-3-2-4-7-17/h2-9,14,16,19H,10-13,15H2,1H3,(H,24,25,26,27)
InChIKeyXVPHRCPDRORQQQ-UHFFFAOYSA-N
MW408.94 g/mol
LogP4.37
Rot. Bonds6

About 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 23536242) has the molecular formula C22H25ClN6 and a molecular weight of 408.94 g/mol. Its IUPAC name is 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID23536242
Molecular FormulaC22H25ClN6
Molecular Weight408.94 g/mol
Exact Mass408.18
IUPAC Name4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1cccc(Cl)c1)c1ncnc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H25ClN6/c1-28(20-9-5-8-18(23)14-20)22-25-16-24-21(27-22)26-19-10-12-29(13-11-19)15-17-6-3-2-4-7-17/h2-9,14,16,19H,10-13,15H2,1H3,(H,24,25,26,27)
InChIKeyXVPHRCPDRORQQQ-UHFFFAOYSA-N
XLogP4.37
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.94
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536489
N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 167810243
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616
2-N-(1-benzylpiperidin-4-yl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 70694566
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976215
2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 117078917
6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine
CID 153221115

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 23536242) is 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is CN(c1cccc(Cl)c1)c1ncnc(NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XVPHRCPDRORQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6/c1-28(20-9-5-8-18(23)14-20)22-25-16-24-21(27-22)26-19-10-12-29(13-11-19)15-17-6-3-2-4-7-17/h2-9,14,16,19H,10-13,15H2,1H3,(H,24,25,26,27).
What are the key properties of 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 408.94 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).