N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine

C18H25N5O — CID 155415224

IUPACN-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCOc1ccccc1CCNc1ncnc(N2CCCCC2)n1
InChIInChI=1S/C18H25N5O/c1-2-24-16-9-5-4-8-15(16)10-11-19-17-20-14-21-18(22-17)23-12-6-3-7-13-23/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,19,20,21,22)
InChIKeyWRFOTKOASCYMEY-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.92
Rot. Bonds7

About N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine

N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 155415224) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID155415224
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCOc1ccccc1CCNc1ncnc(N2CCCCC2)n1
InChIInChI=1S/C18H25N5O/c1-2-24-16-9-5-4-8-15(16)10-11-19-17-20-14-21-18(22-17)23-12-6-3-7-13-23/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,19,20,21,22)
InChIKeyWRFOTKOASCYMEY-UHFFFAOYSA-N
XLogP2.92
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894924
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186
N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884703
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435
1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135100300
N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
CID 130428592
N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 133288903
N-(2-ethoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910272
N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886388
4-(azepan-1-yl)-N-(2-ethoxyphenyl)pyrimidin-2-amine
CID 112901569
(3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 73213502
1-[2-(2-ethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000455

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine (CID 155415224) is N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine is CCOc1ccccc1CCNc1ncnc(N2CCCCC2)n1.
What is the InChIKey of N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is WRFOTKOASCYMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-2-24-16-9-5-4-8-15(16)10-11-19-17-20-14-21-18(22-17)23-12-6-3-7-13-23/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,19,20,21,22).
What are the key properties of N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine?
N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 327.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 155415224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).