4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

C17H28N2O2 — CID 43734119

IUPAC4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCOCCOc1ccc(NC(C)C2CCCN(C)C2)cc1
InChIInChI=1S/C17H28N2O2/c1-14(15-5-4-10-19(2)13-15)18-16-6-8-17(9-7-16)21-12-11-20-3/h6-9,14-15,18H,4-5,10-13H2,1-3H3
InChIKeyBYHYRPNTJUIWJD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.85
Rot. Bonds7

About 4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (PubChem CID 43734119) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
PubChem CID43734119
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCOCCOc1ccc(NC(C)C2CCCN(C)C2)cc1
InChIInChI=1S/C17H28N2O2/c1-14(15-5-4-10-19(2)13-15)18-16-6-8-17(9-7-16)21-12-11-20-3/h6-9,14-15,18H,4-5,10-13H2,1-3H3
InChIKeyBYHYRPNTJUIWJD-UHFFFAOYSA-N
XLogP2.85
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680
3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43672047
3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 54865598
6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 43688309
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733
3-[4-(1-cyclopentylethylamino)phenoxy]propanamide
CID 62631553
2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 64795007
N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942327
N-(1-cyclohexylethyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 43782133
3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
N-[1-(1-methylpiperidin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43307584
4-(difluoromethoxy)-3-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 60943233

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (CID 43734119) is 4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is COCCOc1ccc(NC(C)C2CCCN(C)C2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The InChIKey is BYHYRPNTJUIWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(15-5-4-10-19(2)13-15)18-16-6-8-17(9-7-16)21-12-11-20-3/h6-9,14-15,18H,4-5,10-13H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline has a molecular weight of 292.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 43734119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).