[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine

C14H21FN2O — CID 61216671

IUPAC[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
SMILESCCOC1CCN(c2ccc(F)cc2CN)CC1
InChIInChI=1S/C14H21FN2O/c1-2-18-13-5-7-17(8-6-13)14-4-3-12(15)9-11(14)10-16/h3-4,9,13H,2,5-8,10,16H2,1H3
InChIKeyMDAAIDJEMASBNJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.29
Rot. Bonds4

About [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine

[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine (PubChem CID 61216671) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
PubChem CID61216671
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
SMILESCCOC1CCN(c2ccc(F)cc2CN)CC1
InChIInChI=1S/C14H21FN2O/c1-2-18-13-5-7-17(8-6-13)14-4-3-12(15)9-11(14)10-16/h3-4,9,13H,2,5-8,10,16H2,1H3
InChIKeyMDAAIDJEMASBNJ-UHFFFAOYSA-N
XLogP2.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63794163
2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline
CID 61220325
2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004290
[5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine
CID 63008035
[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 43313684
[3-bromo-4-(4-ethoxypiperidin-1-yl)phenyl]methanamine
CID 82795170
2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol
CID 82691559
4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid
CID 61220908
2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline
CID 114281233
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114238550
[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 43313937

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine (CID 61216671) is [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine is CCOC1CCN(c2ccc(F)cc2CN)CC1.
What is the InChIKey of [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine?
The InChIKey is MDAAIDJEMASBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-18-13-5-7-17(8-6-13)14-4-3-12(15)9-11(14)10-16/h3-4,9,13H,2,5-8,10,16H2,1H3.
What are the key properties of [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine?
[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 61216671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).