[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine

C17H28N2O2 — CID 103440659

IUPAC[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
SMILESCOc1ccc(C(C)N2CCC(C)CC2CN)cc1OC
InChIInChI=1S/C17H28N2O2/c1-12-7-8-19(15(9-12)11-18)13(2)14-5-6-16(20-3)17(10-14)21-4/h5-6,10,12-13,15H,7-9,11,18H2,1-4H3
InChIKeyAMLXNCKYPLJDGZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.82
Rot. Bonds5

About [1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine

[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103440659) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103440659
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
SMILESCOc1ccc(C(C)N2CCC(C)CC2CN)cc1OC
InChIInChI=1S/C17H28N2O2/c1-12-7-8-19(15(9-12)11-18)13(2)14-5-6-16(20-3)17(10-14)21-4/h5-6,10,12-13,15H,7-9,11,18H2,1-4H3
InChIKeyAMLXNCKYPLJDGZ-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

[4-methyl-1-(1-pyridin-4-ylethyl)piperidin-2-yl]methanamine
CID 103440649
4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol
CID 113284221
1-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376854
[4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine
CID 115963202
(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582
2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882022
1-[1-(3,4-dimethoxyphenyl)ethyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678044
1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979644
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564
[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine
CID 103440552
3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol
CID 112621904
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine (CID 103440659) is [1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine is COc1ccc(C(C)N2CCC(C)CC2CN)cc1OC.
What is the InChIKey of [1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is AMLXNCKYPLJDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-7-8-19(15(9-12)11-18)13(2)14-5-6-16(20-3)17(10-14)21-4/h5-6,10,12-13,15H,7-9,11,18H2,1-4H3.
What are the key properties of [1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine?
[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine 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-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103440659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).