2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline

C14H21FN2O — CID 166141504

IUPAC2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline
SMILESCC(C)N1CCC(Oc2cccc(F)c2N)CC1
InChIInChI=1S/C14H21FN2O/c1-10(2)17-8-6-11(7-9-17)18-13-5-3-4-12(15)14(13)16/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyLJTKPHCRHQQSNU-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.66
Rot. Bonds3

About 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline

2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline (PubChem CID 166141504) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline
PubChem CID166141504
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline
SMILESCC(C)N1CCC(Oc2cccc(F)c2N)CC1
InChIInChI=1S/C14H21FN2O/c1-10(2)17-8-6-11(7-9-17)18-13-5-3-4-12(15)14(13)16/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyLJTKPHCRHQQSNU-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.66
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

2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile
CID 117096359
3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline
CID 170327200
8-(1-propan-2-ylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075598
1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 142661887
2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline
CID 104835034
2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline
CID 58948400
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
2-cycloheptyloxy-6-fluorobenzenecarbothioamide
CID 79519678
4-(2,4-difluorophenyl)-1-propan-2-ylpiperidine
CID 59361746
2-amino-2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]acetaldehyde
CID 87187264
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid
CID 119134759

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline?
The IUPAC name of 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline (CID 166141504) is 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline?
The canonical SMILES for 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline is CC(C)N1CCC(Oc2cccc(F)c2N)CC1.
What is the InChIKey of 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline?
The InChIKey is LJTKPHCRHQQSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)17-8-6-11(7-9-17)18-13-5-3-4-12(15)14(13)16/h3-5,10-11H,6-9,16H2,1-2H3.
What are the key properties of 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline?
2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline has a molecular weight of 252.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline is sourced from PubChem (CID 166141504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).