N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine

C14H25N5O2 — CID 62860368

IUPACN-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(c2nc(OC)nc(OC)n2)CC1
InChIInChI=1S/C14H25N5O2/c1-4-7-15-10-11-5-8-19(9-6-11)12-16-13(20-2)18-14(17-12)21-3/h11,15H,4-10H2,1-3H3
InChIKeyWKCYAVSGHIJDEP-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.10
Rot. Bonds7

About N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine

N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 62860368) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID62860368
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(c2nc(OC)nc(OC)n2)CC1
InChIInChI=1S/C14H25N5O2/c1-4-7-15-10-11-5-8-19(9-6-11)12-16-13(20-2)18-14(17-12)21-3/h11,15H,4-10H2,1-3H3
InChIKeyWKCYAVSGHIJDEP-UHFFFAOYSA-N
XLogP1.10
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpiperidin-4-amine
CID 62861936
tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate
CID 171697727
2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol
CID 103703058
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone
CID 63844978
2-[4-(1-chloroethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 106838427
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine
CID 65273588
(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
CID 103696650
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 3222669
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
4-ethoxy-6-(4-ethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80780550

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine (CID 62860368) is N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(c2nc(OC)nc(OC)n2)CC1.
What is the InChIKey of N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is WKCYAVSGHIJDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-7-15-10-11-5-8-19(9-6-11)12-16-13(20-2)18-14(17-12)21-3/h11,15H,4-10H2,1-3H3.
What are the key properties of N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine?
N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62860368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).