2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine

C17H23ClN6 — CID 113258961

IUPAC2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H23ClN6/c1-2-19-16-21-15(18)22-17(23-16)20-14-8-10-24(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,19,20,21,22,23)
InChIKeyZVOCOYLPOTZDRA-UHFFFAOYSA-N
MW346.87 g/mol
LogP3.03
Rot. Bonds6

About 2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine

2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 113258961) has the molecular formula C17H23ClN6 and a molecular weight of 346.87 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID113258961
Molecular FormulaC17H23ClN6
Molecular Weight346.87 g/mol
Exact Mass346.17
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H23ClN6/c1-2-19-16-21-15(18)22-17(23-16)20-14-8-10-24(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,19,20,21,22,23)
InChIKeyZVOCOYLPOTZDRA-UHFFFAOYSA-N
XLogP3.03
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.87
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-(1-benzylpiperidin-4-yl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 113258960
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 71598389
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
CID 114074043
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)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
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)-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
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 113258961) is 2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZVOCOYLPOTZDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6/c1-2-19-16-21-15(18)22-17(23-16)20-14-8-10-24(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine?
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 346.87 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 113258961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).