N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine

C14H27N5O — CID 65468849

IUPACN-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCOCC2CCCCN2C)nn1
InChIInChI=1S/C14H27N5O/c1-3-15-10-13-11-19(17-16-13)8-9-20-12-14-6-4-5-7-18(14)2/h11,14-15H,3-10,12H2,1-2H3
InChIKeyXXBBEUCJDOIVBJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds8

About N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine

N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine (PubChem CID 65468849) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine
PubChem CID65468849
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCOCC2CCCCN2C)nn1
InChIInChI=1S/C14H27N5O/c1-3-15-10-13-11-19(17-16-13)8-9-20-12-14-6-4-5-7-18(14)2/h11,14-15H,3-10,12H2,1-2H3
InChIKeyXXBBEUCJDOIVBJ-UHFFFAOYSA-N
XLogP0.89
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
N-[[1-[2-(4,4,4-trifluorobutoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 82792791
3-[2-[4-(ethylaminomethyl)triazol-1-yl]ethoxy]-N,N-dimethylpropan-1-amine
CID 62458826
N-[[1-[2-(3,3-dimethylbutoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 66224811
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63620813
N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62485269
[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493953
N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
[1-[[(2R)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanamine
CID 129496715
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
CID 116642161
N-[[1-[2-(4,4-dimethylazepan-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 65286425

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine (CID 65468849) is N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCOCC2CCCCN2C)nn1.
What is the InChIKey of N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is XXBBEUCJDOIVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-3-15-10-13-11-19(17-16-13)8-9-20-12-14-6-4-5-7-18(14)2/h11,14-15H,3-10,12H2,1-2H3.
What are the key properties of N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65468849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).