1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine

C17H28N2O2 — CID 81451585

IUPAC1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(C(C)c2cc(OC)ccc2OC)CCC1N
InChIInChI=1S/C17H28N2O2/c1-5-13-11-19(9-8-16(13)18)12(2)15-10-14(20-3)6-7-17(15)21-4/h6-7,10,12-13,16H,5,8-9,11,18H2,1-4H3
InChIKeyDQCAHIXRBLKDAT-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.82
Rot. Bonds5

About 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine

1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine (PubChem CID 81451585) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine
PubChem CID81451585
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(C(C)c2cc(OC)ccc2OC)CCC1N
InChIInChI=1S/C17H28N2O2/c1-5-13-11-19(9-8-16(13)18)12(2)15-10-14(20-3)6-7-17(15)21-4/h6-7,10,12-13,16H,5,8-9,11,18H2,1-4H3
InChIKeyDQCAHIXRBLKDAT-UHFFFAOYSA-N
XLogP2.82
TPSA47.72 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975552
3-[1-(2,5-dimethoxyphenyl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115313891
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine
CID 63863139
5-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212747
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[1-(2,4-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066170
1-[2-amino-1-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890949
(3R)-1-[(1S)-2-amino-1-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124824548
1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane
CID 3724554

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine?
The IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine (CID 81451585) is 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine is CCC1CN(C(C)c2cc(OC)ccc2OC)CCC1N.
What is the InChIKey of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine?
The InChIKey is DQCAHIXRBLKDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-13-11-19(9-8-16(13)18)12(2)15-10-14(20-3)6-7-17(15)21-4/h6-7,10,12-13,16H,5,8-9,11,18H2,1-4H3.
What are the key properties of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine?
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine has a molecular weight of 292.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine is sourced from PubChem (CID 81451585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).