N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine

C25H37N3O2 — CID 16677206

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCCOc1cc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)ccc1OC
InChIInChI=1S/C25H37N3O2/c1-7-30-23-13-19(10-11-22(23)29-6)17-28(18-20-9-8-12-26-16-20)21-14-24(2,3)27-25(4,5)15-21/h8-13,16,21,27H,7,14-15,17-18H2,1-6H3
InChIKeyHGDLJNFGGJZOMP-UHFFFAOYSA-N
MW411.59 g/mol
LogP4.80
Rot. Bonds8

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 16677206) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID16677206
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCCOc1cc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)ccc1OC
InChIInChI=1S/C25H37N3O2/c1-7-30-23-13-19(10-11-22(23)29-6)17-28(18-20-9-8-12-26-16-20)21-14-24(2,3)27-25(4,5)15-21/h8-13,16,21,27H,7,14-15,17-18H2,1-6H3
InChIKeyHGDLJNFGGJZOMP-UHFFFAOYSA-N
XLogP4.80
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine with MolForge

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Related Compounds

N-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171669884
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114782
2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 46954417
2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 118747379
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-fluoro-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine;formaldehyde
CID 162380479
5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine
CID 46962664
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
[2-methoxy-5-[[(5-methylfuran-2-yl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methanol
CID 16676930
1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 6473316
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 171700563
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 78792703

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine (CID 16677206) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine is CCOc1cc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is HGDLJNFGGJZOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-7-30-23-13-19(10-11-22(23)29-6)17-28(18-20-9-8-12-26-16-20)21-14-24(2,3)27-25(4,5)15-21/h8-13,16,21,27H,7,14-15,17-18H2,1-6H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 411.59 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 16677206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).