[2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine

C14H21FN2O — CID 117096886

IUPAC[2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine
SMILESCN1CCC(C)(Oc2cccc(F)c2CN)CC1
InChIInChI=1S/C14H21FN2O/c1-14(6-8-17(2)9-7-14)18-13-5-3-4-12(15)11(13)10-16/h3-5H,6-10,16H2,1-2H3
InChIKeySUOWZBIKDXRSPX-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.15
Rot. Bonds3

About [2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine

[2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine (PubChem CID 117096886) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine
PubChem CID117096886
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine
SMILESCN1CCC(C)(Oc2cccc(F)c2CN)CC1
InChIInChI=1S/C14H21FN2O/c1-14(6-8-17(2)9-7-14)18-13-5-3-4-12(15)11(13)10-16/h3-5H,6-10,16H2,1-2H3
InChIKeySUOWZBIKDXRSPX-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine?
The IUPAC name of [2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine (CID 117096886) is [2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine is CN1CCC(C)(Oc2cccc(F)c2CN)CC1.
What is the InChIKey of [2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine?
The InChIKey is SUOWZBIKDXRSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-14(6-8-17(2)9-7-14)18-13-5-3-4-12(15)11(13)10-16/h3-5H,6-10,16H2,1-2H3.
What are the key properties of [2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine?
[2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dimethylpiperidin-4-yl)oxy-6-fluorophenyl]methanamine is sourced from PubChem (CID 117096886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).