N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine

C17H28N2O — CID 79396800

IUPACN-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(Cc2cccc(OC)c2)C(C)C1C
InChIInChI=1S/C17H28N2O/c1-5-18-17-9-10-19(14(3)13(17)2)12-15-7-6-8-16(11-15)20-4/h6-8,11,13-14,17-18H,5,9-10,12H2,1-4H3
InChIKeyJUVIYPUDFLXUAM-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.90
Rot. Bonds5

About N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine

N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine (PubChem CID 79396800) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine
PubChem CID79396800
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(Cc2cccc(OC)c2)C(C)C1C
InChIInChI=1S/C17H28N2O/c1-5-18-17-9-10-19(14(3)13(17)2)12-15-7-6-8-16(11-15)20-4/h6-8,11,13-14,17-18H,5,9-10,12H2,1-4H3
InChIKeyJUVIYPUDFLXUAM-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine
CID 107852933
N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 114507529
1-[(4-methoxyphenyl)methyl]-N,2,3-trimethylpiperidin-4-amine
CID 79397697
[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788535
N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473
2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 174891320
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114431427
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
(3S,8aS)-2-[(3-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92604019
1-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79406628

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine (CID 79396800) is N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine is CCNC1CCN(Cc2cccc(OC)c2)C(C)C1C.
What is the InChIKey of N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine?
The InChIKey is JUVIYPUDFLXUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-17-9-10-19(14(3)13(17)2)12-15-7-6-8-16(11-15)20-4/h6-8,11,13-14,17-18H,5,9-10,12H2,1-4H3.
What are the key properties of N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine?
N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79396800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).