3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

C16H26N2O — CID 54865598

IUPAC3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCCOc1cccc(NC(C)C2CCCN(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-4-19-16-9-5-8-15(11-16)17-13(2)14-7-6-10-18(3)12-14/h5,8-9,11,13-14,17H,4,6-7,10,12H2,1-3H3
InChIKeyIHNQKWKBDLUZHE-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds5

About 3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (PubChem CID 54865598) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
PubChem CID54865598
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCCOc1cccc(NC(C)C2CCCN(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-4-19-16-9-5-8-15(11-16)17-13(2)14-7-6-10-18(3)12-14/h5,8-9,11,13-14,17H,4,6-7,10,12H2,1-3H3
InChIKeyIHNQKWKBDLUZHE-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43672047
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733
4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43734119
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline
CID 43739906
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936185
3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43698690
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680
2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 64795007
N-[1-(1-methylpiperidin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43307584
2-[3-(1-cyclopentylethylamino)phenoxy]acetamide
CID 62632459
1-methyl-N-[3-(2-methylpropoxy)phenyl]azepan-4-amine
CID 65070438

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (CID 54865598) is 3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is CCOc1cccc(NC(C)C2CCCN(C)C2)c1.
What is the InChIKey of 3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The InChIKey is IHNQKWKBDLUZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-19-16-9-5-8-15(11-16)17-13(2)14-7-6-10-18(3)12-14/h5,8-9,11,13-14,17H,4,6-7,10,12H2,1-3H3.
What are the key properties of 3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 54865598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).