N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline

C17H28N2O — CID 43307758

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
SMILESCCN1CCC(C(C)Nc2cc(C)ccc2OC)CC1
InChIInChI=1S/C17H28N2O/c1-5-19-10-8-15(9-11-19)14(3)18-16-12-13(2)6-7-17(16)20-4/h6-7,12,14-15,18H,5,8-11H2,1-4H3
InChIKeyLWCWJFBWGWNPHQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.54
Rot. Bonds5

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline

N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline (PubChem CID 43307758) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
PubChem CID43307758
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
SMILESCCN1CCC(C(C)Nc2cc(C)ccc2OC)CC1
InChIInChI=1S/C17H28N2O/c1-5-19-10-8-15(9-11-19)14(3)18-16-12-13(2)6-7-17(16)20-4/h6-7,12,14-15,18H,5,8-11H2,1-4H3
InChIKeyLWCWJFBWGWNPHQ-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-fluoro-4-methylaniline
CID 43308622
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 43380417
2-methoxy-5-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113354819
N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline
CID 43307958
4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
CID 107620997
4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
CID 82857817
2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43307485
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline
CID 43739139
2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 82761319
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43685208

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline (CID 43307758) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline is CCN1CCC(C(C)Nc2cc(C)ccc2OC)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline?
The InChIKey is LWCWJFBWGWNPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-19-10-8-15(9-11-19)14(3)18-16-12-13(2)6-7-17(16)20-4/h6-7,12,14-15,18H,5,8-11H2,1-4H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline has a molecular weight of 276.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 43307758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).