2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol

C23H35N7O — CID 58865873

IUPAC2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C23H35N7O/c1-2-28(17-18-31)20-11-9-19(10-12-20)24-21-25-22(29-13-5-3-6-14-29)27-23(26-21)30-15-7-4-8-16-30/h9-12,31H,2-8,13-18H2,1H3,(H,24,25,26,27)
InChIKeyBBSUCSYCXPLGQO-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.41
Rot. Bonds8

About 2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol

2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol (PubChem CID 58865873) has the molecular formula C23H35N7O and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol
PubChem CID58865873
Molecular FormulaC23H35N7O
Molecular Weight425.58 g/mol
Exact Mass425.29
IUPAC Name2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C23H35N7O/c1-2-28(17-18-31)20-11-9-19(10-12-20)24-21-25-22(29-13-5-3-6-14-29)27-23(26-21)30-15-7-4-8-16-30/h9-12,31H,2-8,13-18H2,1H3,(H,24,25,26,27)
InChIKeyBBSUCSYCXPLGQO-UHFFFAOYSA-N
XLogP3.41
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112909556
4-N,4-N-diethyl-1-N-(4-piperidin-1-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112884574
2-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 137172606
4-N,4-N-diethyl-1-N-(4-pyrrolidin-1-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112883943
azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158450450
4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 39847912
2-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-ethylanilino]ethanol
CID 10315138
azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158226737
[2-[4-(diethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321867
N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80911509
2-N-(4-chlorophenyl)-4-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584715

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol?
The IUPAC name of 2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol (CID 58865873) is 2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol.
What is the SMILES notation for 2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol?
The canonical SMILES for 2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol is CCN(CCO)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol?
The InChIKey is BBSUCSYCXPLGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N7O/c1-2-28(17-18-31)20-11-9-19(10-12-20)24-21-25-22(29-13-5-3-6-14-29)27-23(26-21)30-15-7-4-8-16-30/h9-12,31H,2-8,13-18H2,1H3,(H,24,25,26,27).
What are the key properties of 2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol?
2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol has a molecular weight of 425.58 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol is sourced from PubChem (CID 58865873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).