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

C20H49ClN10O — CID 158450450

IUPACazane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
SMILESCOc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H28N6O.ClH.4H3N.4H2/c1-27-17-10-8-16(9-11-17)21-18-22-19(25-12-4-2-5-13-25)24-20(23-18)26-14-6-3-7-15-26;;;;;;;;;/h8-11H,2-7,12-15H2,1H3,(H,21,22,23,24);1H;4*1H3;4*1H
InChIKeySAVYWRJXMWCYML-UHFFFAOYSA-N
MW481.13 g/mol
LogP5.66
Rot. Bonds5

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

azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride (PubChem CID 158450450) has the molecular formula C20H49ClN10O and a molecular weight of 481.13 g/mol. Its IUPAC name is azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride.

Molecular Properties

Compound Nameazane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
PubChem CID158450450
Molecular FormulaC20H49ClN10O
Molecular Weight481.13 g/mol
Exact Mass480.38
IUPAC Nameazane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
SMILESCOc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H28N6O.ClH.4H3N.4H2/c1-27-17-10-8-16(9-11-17)21-18-22-19(25-12-4-2-5-13-25)24-20(23-18)26-14-6-3-7-15-26;;;;;;;;;/h8-11H,2-7,12-15H2,1H3,(H,21,22,23,24);1H;4*1H3;4*1H
InChIKeySAVYWRJXMWCYML-UHFFFAOYSA-N
XLogP5.66
TPSA206.41 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500481.13
LogP ≤ 55.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride with MolForge

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Related Compounds

azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride
CID 162249319
4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 39847912
azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158226737
4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 558859
N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 1068515
azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 159172305
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen
CID 161199444
4,6-bis(azepan-1-yl)-N-[(4-methoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine
CID 5186546
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
1-[4-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone
CID 58865645

Frequently Asked Questions

What is the IUPAC name of azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
The IUPAC name of azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride (CID 158450450) is azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride.
What is the SMILES notation for azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
The canonical SMILES for azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride is COc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
The InChIKey is SAVYWRJXMWCYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O.ClH.4H3N.4H2/c1-27-17-10-8-16(9-11-17)21-18-22-19(25-12-4-2-5-13-25)24-20(23-18)26-14-6-3-7-15-26;;;;;;;;;/h8-11H,2-7,12-15H2,1H3,(H,21,22,23,24);1H;4*1H3;4*1H.
What are the key properties of azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride has a molecular weight of 481.13 g/mol, XLogP of 5.66, 5 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride is sourced from PubChem (CID 158450450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).