N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline

C16H25FN2O — CID 43380417

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline
SMILESCCN1CCC(C(C)Nc2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C16H25FN2O/c1-4-19-9-7-13(8-10-19)12(2)18-14-5-6-16(20-3)15(17)11-14/h5-6,11-13,18H,4,7-10H2,1-3H3
InChIKeyLIAUOLOACODKGI-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.37
Rot. Bonds5

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline

N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline (PubChem CID 43380417) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline
PubChem CID43380417
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline
SMILESCCN1CCC(C(C)Nc2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C16H25FN2O/c1-4-19-9-7-13(8-10-19)12(2)18-14-5-6-16(20-3)15(17)11-14/h5-6,11-13,18H,4,7-10H2,1-3H3
InChIKeyLIAUOLOACODKGI-UHFFFAOYSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-cyclopropylethyl]-3-fluoro-4-methoxyaniline
CID 93292866
4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
CID 82857817
4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
CID 107620997
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
CID 43308012
5-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-fluorobenzonitrile
CID 62316616
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758
N-(1-cyclopropylpropyl)-3-fluoro-4-methoxyaniline
CID 64918809
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 83973600
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline
CID 43307452
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline
CID 43308670

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline (CID 43380417) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline is CCN1CCC(C(C)Nc2ccc(OC)c(F)c2)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline?
The InChIKey is LIAUOLOACODKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-19-9-7-13(8-10-19)12(2)18-14-5-6-16(20-3)15(17)11-14/h5-6,11-13,18H,4,7-10H2,1-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline has a molecular weight of 280.39 g/mol, XLogP of 3.37, 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]-3-fluoro-4-methoxyaniline is sourced from PubChem (CID 43380417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).