2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine

C18H30N2O3 — CID 119126719

IUPAC2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(OC)cc1CNCCN1CCC(C)CC1
InChIInChI=1S/C18H30N2O3/c1-14-5-8-20(9-6-14)10-7-19-13-15-11-17(22-3)18(23-4)12-16(15)21-2/h11-12,14,19H,5-10,13H2,1-4H3
InChIKeySHGHJAFIQFKIQV-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.53
Rot. Bonds8

About 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine

2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 119126719) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID119126719
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(OC)cc1CNCCN1CCC(C)CC1
InChIInChI=1S/C18H30N2O3/c1-14-5-8-20(9-6-14)10-7-19-13-15-11-17(22-3)18(23-4)12-16(15)21-2/h11-12,14,19H,5-10,13H2,1-4H3
InChIKeySHGHJAFIQFKIQV-UHFFFAOYSA-N
XLogP2.53
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 61239312
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558421
4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 103948129
N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 103866095
N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111209994
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 64988879
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline
CID 82183629
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
N-[(4-cyclopropylphenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 79978719

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine (CID 119126719) is 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine is COc1cc(OC)c(OC)cc1CNCCN1CCC(C)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is SHGHJAFIQFKIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14-5-8-20(9-6-14)10-7-19-13-15-11-17(22-3)18(23-4)12-16(15)21-2/h11-12,14,19H,5-10,13H2,1-4H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 322.45 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 119126719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).