N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine

C17H28N2O — CID 102958936

IUPACN-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(N2CCC(C)C(OC)C2)cc1
InChIInChI=1S/C17H28N2O/c1-5-18-14(3)15-6-8-16(9-7-15)19-11-10-13(2)17(12-19)20-4/h6-9,13-14,17-18H,5,10-12H2,1-4H3
InChIKeyOTGFPTYZUCWZOG-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds5

About N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine

N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 102958936) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
PubChem CID102958936
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(N2CCC(C)C(OC)C2)cc1
InChIInChI=1S/C17H28N2O/c1-5-18-14(3)15-6-8-16(9-7-15)19-11-10-13(2)17(12-19)20-4/h6-9,13-14,17-18H,5,10-12H2,1-4H3
InChIKeyOTGFPTYZUCWZOG-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 102958984
1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
CID 55130210
1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 102958978
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590380
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63532857
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961263
N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918
(1S)-1-[5-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 102959932
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline
CID 102955586
1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958895
1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958940
N-ethyl-1-[4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 114593704

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine (CID 102958936) is N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine is CCNC(C)c1ccc(N2CCC(C)C(OC)C2)cc1.
What is the InChIKey of N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is OTGFPTYZUCWZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-14(3)15-6-8-16(9-7-15)19-11-10-13(2)17(12-19)20-4/h6-9,13-14,17-18H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine?
N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 102958936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).