3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline

C17H19FN2O — CID 137455233

IUPAC3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline
SMILESNc1ccc(OC2CCN(c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C17H19FN2O/c18-16-12-13(19)6-7-17(16)21-15-8-10-20(11-9-15)14-4-2-1-3-5-14/h1-7,12,15H,8-11,19H2
InChIKeyNRASTVVIUPMUGP-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.46
Rot. Bonds3

About 3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline

3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline (PubChem CID 137455233) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline
PubChem CID137455233
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline
SMILESNc1ccc(OC2CCN(c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C17H19FN2O/c18-16-12-13(19)6-7-17(16)21-15-8-10-20(11-9-15)14-4-2-1-3-5-14/h1-7,12,15H,8-11,19H2
InChIKeyNRASTVVIUPMUGP-UHFFFAOYSA-N
XLogP3.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexyloxy-3-fluoroaniline
CID 19627258
4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
CID 62916163
1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine
CID 173058525
4-(4-amino-2-fluorophenoxy)cyclohexan-1-one
CID 117096207
3-chloro-4-[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]oxyaniline
CID 142522061
3-[4-(4-amino-2-chlorophenoxy)piperidin-1-yl]benzonitrile
CID 137455065
1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide
CID 137455203
3-chloro-4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]oxyaniline
CID 142522199
4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-fluoroaniline
CID 28872657
3-chloro-4-[(3S)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxyaniline
CID 142522162
(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 119944781
3-chloro-4-[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]oxyaniline
CID 142522055

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline?
The IUPAC name of 3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline (CID 137455233) is 3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for 3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline?
The canonical SMILES for 3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline is Nc1ccc(OC2CCN(c3ccccc3)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline?
The InChIKey is NRASTVVIUPMUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-16-12-13(19)6-7-17(16)21-15-8-10-20(11-9-15)14-4-2-1-3-5-14/h1-7,12,15H,8-11,19H2.
What are the key properties of 3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline?
3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline has a molecular weight of 286.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1-phenylpiperidin-4-yl)oxyaniline is sourced from PubChem (CID 137455233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).