N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine

C17H28N2O2 — CID 43717361

IUPACN-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCCOc1ccc(NC2CC(C)N(C)CC2C)cc1OC
InChIInChI=1S/C17H28N2O2/c1-6-21-16-8-7-14(10-17(16)20-5)18-15-9-13(3)19(4)11-12(15)2/h7-8,10,12-13,15,18H,6,9,11H2,1-5H3
InChIKeyHIDROPSVNAJQDB-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.23
Rot. Bonds5

About N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine

N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43717361) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID43717361
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCCOc1ccc(NC2CC(C)N(C)CC2C)cc1OC
InChIInChI=1S/C17H28N2O2/c1-6-21-16-8-7-14(10-17(16)20-5)18-15-9-13(3)19(4)11-12(15)2/h7-8,10,12-13,15,18H,6,9,11H2,1-5H3
InChIKeyHIDROPSVNAJQDB-UHFFFAOYSA-N
XLogP3.23
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 107270537
N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665336
N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 60935527
N-(4-ethoxy-3-methoxyphenyl)-2-methyloxolan-3-amine
CID 82726780
N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 65435866
3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline
CID 104860047
N-(4-tert-butylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665344
N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43733213
N-(3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665401
3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine
CID 79461999
N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466833
N-(3-ethoxy-4-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941817

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine (CID 43717361) is N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine is CCOc1ccc(NC2CC(C)N(C)CC2C)cc1OC.
What is the InChIKey of N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is HIDROPSVNAJQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-21-16-8-7-14(10-17(16)20-5)18-15-9-13(3)19(4)11-12(15)2/h7-8,10,12-13,15,18H,6,9,11H2,1-5H3.
What are the key properties of N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine?
N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 292.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43717361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).