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

C21H31N5O4 — CID 68779258

IUPAC4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine
SMILESCCCOc1cc(CN2CCC(Nc3nc(OC)nc(OC)n3)CC2)ccc1OC
InChIInChI=1S/C21H31N5O4/c1-5-12-30-18-13-15(6-7-17(18)27-2)14-26-10-8-16(9-11-26)22-19-23-20(28-3)25-21(24-19)29-4/h6-7,13,16H,5,8-12,14H2,1-4H3,(H,22,23,24,25)
InChIKeyAQKWNXPGFJHKNV-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.76
Rot. Bonds10

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

4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine (PubChem CID 68779258) has the molecular formula C21H31N5O4 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine
PubChem CID68779258
Molecular FormulaC21H31N5O4
Molecular Weight417.51 g/mol
Exact Mass417.24
IUPAC Name4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine
SMILESCCCOc1cc(CN2CCC(Nc3nc(OC)nc(OC)n3)CC2)ccc1OC
InChIInChI=1S/C21H31N5O4/c1-5-12-30-18-13-15(6-7-17(18)27-2)14-26-10-8-16(9-11-26)22-19-23-20(28-3)25-21(24-19)29-4/h6-7,13,16H,5,8-12,14H2,1-4H3,(H,22,23,24,25)
InChIKeyAQKWNXPGFJHKNV-UHFFFAOYSA-N
XLogP2.76
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine (CID 68779258) is 4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine is CCCOc1cc(CN2CCC(Nc3nc(OC)nc(OC)n3)CC2)ccc1OC.
What is the InChIKey of 4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine?
The InChIKey is AQKWNXPGFJHKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O4/c1-5-12-30-18-13-15(6-7-17(18)27-2)14-26-10-8-16(9-11-26)22-19-23-20(28-3)25-21(24-19)29-4/h6-7,13,16H,5,8-12,14H2,1-4H3,(H,22,23,24,25).
What are the key properties of 4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine has a molecular weight of 417.51 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 68779258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).