2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline

C17H28N2O2 — CID 54855650

IUPAC2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline
SMILESCCOCCOc1ccccc1NCC1CCCC(C)N1
InChIInChI=1S/C17H28N2O2/c1-3-20-11-12-21-17-10-5-4-9-16(17)18-13-15-8-6-7-14(2)19-15/h4-5,9-10,14-15,18-19H,3,6-8,11-13H2,1-2H3
InChIKeyGPZIAFQSIINZLP-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.04
Rot. Bonds8

About 2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline

2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline (PubChem CID 54855650) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline
PubChem CID54855650
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline
SMILESCCOCCOc1ccccc1NCC1CCCC(C)N1
InChIInChI=1S/C17H28N2O2/c1-3-20-11-12-21-17-10-5-4-9-16(17)18-13-15-8-6-7-14(2)19-15/h4-5,9-10,14-15,18-19H,3,6-8,11-13H2,1-2H3
InChIKeyGPZIAFQSIINZLP-UHFFFAOYSA-N
XLogP3.04
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855753
2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855465
N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline
CID 54855757
3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855539
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
2-[cyclohexyl(methyl)amino]-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 54817307
N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide
CID 54856149
2-(2-ethoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513373
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333
2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline
CID 54801709

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline (CID 54855650) is 2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline is CCOCCOc1ccccc1NCC1CCCC(C)N1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline?
The InChIKey is GPZIAFQSIINZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-20-11-12-21-17-10-5-4-9-16(17)18-13-15-8-6-7-14(2)19-15/h4-5,9-10,14-15,18-19H,3,6-8,11-13H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline?
2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline has a molecular weight of 292.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline is sourced from PubChem (CID 54855650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).