4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine

C24H34FN5O3 — CID 11155389

IUPAC4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Oc2nc(OC3CCCCCC3)nc(N(C)C3CCN(C)CC3)n2)cc1F
InChIInChI=1S/C24H34FN5O3/c1-29-14-12-17(13-15-29)30(2)22-26-23(32-18-8-6-4-5-7-9-18)28-24(27-22)33-19-10-11-21(31-3)20(25)16-19/h10-11,16-18H,4-9,12-15H2,1-3H3
InChIKeyKEHPISUUNCCZCB-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.44
Rot. Bonds7

About 4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine

4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine (PubChem CID 11155389) has the molecular formula C24H34FN5O3 and a molecular weight of 459.57 g/mol. Its IUPAC name is 4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine
PubChem CID11155389
Molecular FormulaC24H34FN5O3
Molecular Weight459.57 g/mol
Exact Mass459.26
IUPAC Name4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Oc2nc(OC3CCCCCC3)nc(N(C)C3CCN(C)CC3)n2)cc1F
InChIInChI=1S/C24H34FN5O3/c1-29-14-12-17(13-15-29)30(2)22-26-23(32-18-8-6-4-5-7-9-18)28-24(27-22)33-19-10-11-21(31-3)20(25)16-19/h10-11,16-18H,4-9,12-15H2,1-3H3
InChIKeyKEHPISUUNCCZCB-UHFFFAOYSA-N
XLogP4.44
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine (CID 11155389) is 4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine is COc1ccc(Oc2nc(OC3CCCCCC3)nc(N(C)C3CCN(C)CC3)n2)cc1F.
What is the InChIKey of 4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is KEHPISUUNCCZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O3/c1-29-14-12-17(13-15-29)30(2)22-26-23(32-18-8-6-4-5-7-9-18)28-24(27-22)33-19-10-11-21(31-3)20(25)16-19/h10-11,16-18H,4-9,12-15H2,1-3H3.
What are the key properties of 4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine?
4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 459.57 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-6-(3-fluoro-4-methoxyphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 11155389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).