azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride

C20H50ClN11O — CID 162249319

IUPACazane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride
SMILESCOc1ccc(NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H29N7O.ClH.4H3N.4H2/c1-28-17-10-8-16(9-11-17)24-25-18-21-19(26-12-4-2-5-13-26)23-20(22-18)27-14-6-3-7-15-27;;;;;;;;;/h8-11,24H,2-7,12-15H2,1H3,(H,21,22,23,25);1H;4*1H3;4*1H
InChIKeySSVKXDIFROLUEO-UHFFFAOYSA-N
MW496.15 g/mol
LogP5.35
Rot. Bonds6

About azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride

azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride (PubChem CID 162249319) has the molecular formula C20H50ClN11O and a molecular weight of 496.15 g/mol. Its IUPAC name is azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride.

Molecular Properties

Compound Nameazane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride
PubChem CID162249319
Molecular FormulaC20H50ClN11O
Molecular Weight496.15 g/mol
Exact Mass495.39
IUPAC Nameazane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride
SMILESCOc1ccc(NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H29N7O.ClH.4H3N.4H2/c1-28-17-10-8-16(9-11-17)24-25-18-21-19(26-12-4-2-5-13-26)23-20(22-18)27-14-6-3-7-15-27;;;;;;;;;/h8-11,24H,2-7,12-15H2,1H3,(H,21,22,23,25);1H;4*1H3;4*1H
InChIKeySSVKXDIFROLUEO-UHFFFAOYSA-N
XLogP5.35
TPSA218.44 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500496.15
LogP ≤ 55.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 159172305
4,6-bis(azepan-1-yl)-N-[(4-methoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine
CID 5186546
azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158226737
N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 1068515
azane;molecular hydrogen;N-[(4-phenoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;hydrochloride
CID 161356785
4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 558859
1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298472
N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18584608
N-(4-methoxyphenyl)-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112934626
1-(4-methoxyphenyl)piperidine
CID 10130315

Frequently Asked Questions

What is the IUPAC name of azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride?
The IUPAC name of azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride (CID 162249319) is azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride.
What is the SMILES notation for azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride?
The canonical SMILES for azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride is COc1ccc(NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride?
The InChIKey is SSVKXDIFROLUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O.ClH.4H3N.4H2/c1-28-17-10-8-16(9-11-17)24-25-18-21-19(26-12-4-2-5-13-26)23-20(22-18)27-14-6-3-7-15-27;;;;;;;;;/h8-11,24H,2-7,12-15H2,1H3,(H,21,22,23,25);1H;4*1H3;4*1H.
What are the key properties of azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride?
azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride has a molecular weight of 496.15 g/mol, XLogP of 5.35, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride is sourced from PubChem (CID 162249319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).