4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine

C26H33N5O3 — CID 22332040

IUPAC4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C26H33N5O3/c1-32-22-10-9-20(18-23(22)33-2)11-14-27-24-28-25(30-26(29-24)34-3)31-15-12-21(13-16-31)17-19-7-5-4-6-8-19/h4-10,18,21H,11-17H2,1-3H3,(H,27,28,29,30)
InChIKeyGHLRHDAQIIFALY-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.01
Rot. Bonds10

About 4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine

4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 22332040) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID22332040
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C26H33N5O3/c1-32-22-10-9-20(18-23(22)33-2)11-14-27-24-28-25(30-26(29-24)34-3)31-15-12-21(13-16-31)17-19-7-5-4-6-8-19/h4-10,18,21H,11-17H2,1-3H3,(H,27,28,29,30)
InChIKeyGHLRHDAQIIFALY-UHFFFAOYSA-N
XLogP4.01
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 975498
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 1303751
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 2940993
4-(2-{4-[(3-Benzo[1,3]dioxol-5-yl-propyl)-methyl-amino]-6-piperazin-1-yl-[1,3,5]triazin-2-ylamino}-ethyl)-phenol
CID 10983822
6-[[1-[4,6-Bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylhex-4-ynenitrile;hydrochloride
CID 49796153
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647767
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 1296537
2-N-benzyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 46850266
2-[[4-[2-(3,4-Dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 3239498
5-[[1-[4,6-Bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile;hydrochloride
CID 49796146
N-Cyclohexyl-N'-(3,3,5]triazine-2,4,6-triamine
CID 405307
6-[4-[[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]amino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 14950923

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine (CID 22332040) is 4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NCCc2ccc(OC)c(OC)c2)nc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is GHLRHDAQIIFALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-32-22-10-9-20(18-23(22)33-2)11-14-27-24-28-25(30-26(29-24)34-3)31-15-12-21(13-16-31)17-19-7-5-4-6-8-19/h4-10,18,21H,11-17H2,1-3H3,(H,27,28,29,30).
What are the key properties of 4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 463.58 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 22332040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).