1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

C22H36N2O4 — CID 119129181

IUPAC1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESCCOc1c(OC)cc(CNCC2(N3CCCCC3)CCOCC2)cc1OC
InChIInChI=1S/C22H36N2O4/c1-4-28-21-19(25-2)14-18(15-20(21)26-3)16-23-17-22(8-12-27-13-9-22)24-10-6-5-7-11-24/h14-15,23H,4-13,16-17H2,1-3H3
InChIKeyKAHMTESRXTYORW-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.23
Rot. Bonds9

About 1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (PubChem CID 119129181) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
PubChem CID119129181
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Name1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESCCOc1c(OC)cc(CNCC2(N3CCCCC3)CCOCC2)cc1OC
InChIInChI=1S/C22H36N2O4/c1-4-28-21-19(25-2)14-18(15-20(21)26-3)16-23-17-22(8-12-27-13-9-22)24-10-6-5-7-11-24/h14-15,23H,4-13,16-17H2,1-3H3
InChIKeyKAHMTESRXTYORW-UHFFFAOYSA-N
XLogP3.23
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129234
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129341
1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129277
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129275
[1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579336
2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 45354772
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 119129298
1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129353
1-(5-methylthiophen-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129246
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43516566
4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 71617633
1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743600

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (CID 119129181) is 1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is CCOc1c(OC)cc(CNCC2(N3CCCCC3)CCOCC2)cc1OC.
What is the InChIKey of 1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The InChIKey is KAHMTESRXTYORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-4-28-21-19(25-2)14-18(15-20(21)26-3)16-23-17-22(8-12-27-13-9-22)24-10-6-5-7-11-24/h14-15,23H,4-13,16-17H2,1-3H3.
What are the key properties of 1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine has a molecular weight of 392.54 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 119129181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).