[3-(3-fluoropiperidin-1-yl)phenyl]methanamine

C12H17FN2 — CID 115025964

IUPAC[3-(3-fluoropiperidin-1-yl)phenyl]methanamine
SMILESNCc1cccc(N2CCCC(F)C2)c1
InChIInChI=1S/C12H17FN2/c13-11-4-2-6-15(9-11)12-5-1-3-10(7-12)8-14/h1,3,5,7,11H,2,4,6,8-9,14H2
InChIKeyQDGWMWNQOOJZIM-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.08
Rot. Bonds2

About [3-(3-fluoropiperidin-1-yl)phenyl]methanamine

[3-(3-fluoropiperidin-1-yl)phenyl]methanamine (PubChem CID 115025964) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [3-(3-fluoropiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-fluoropiperidin-1-yl)phenyl]methanamine
PubChem CID115025964
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[3-(3-fluoropiperidin-1-yl)phenyl]methanamine
SMILESNCc1cccc(N2CCCC(F)C2)c1
InChIInChI=1S/C12H17FN2/c13-11-4-2-6-15(9-11)12-5-1-3-10(7-12)8-14/h1,3,5,7,11H,2,4,6,8-9,14H2
InChIKeyQDGWMWNQOOJZIM-UHFFFAOYSA-N
XLogP2.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-fluoropiperidin-1-yl)phenyl]methanamine
CID 83854012
[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
CID 102814059
[3-(4-tert-butylazepan-1-yl)phenyl]methanamine
CID 102814062
1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
[3-(4-propylazepan-1-yl)phenyl]methanamine
CID 102814056
[3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84670926
[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84777953
[3-(3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84777501
[3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine
CID 166793956
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine
CID 102814225

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoropiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-(3-fluoropiperidin-1-yl)phenyl]methanamine (CID 115025964) is [3-(3-fluoropiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(3-fluoropiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(3-fluoropiperidin-1-yl)phenyl]methanamine is NCc1cccc(N2CCCC(F)C2)c1.
What is the InChIKey of [3-(3-fluoropiperidin-1-yl)phenyl]methanamine?
The InChIKey is QDGWMWNQOOJZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-4-2-6-15(9-11)12-5-1-3-10(7-12)8-14/h1,3,5,7,11H,2,4,6,8-9,14H2.
What are the key properties of [3-(3-fluoropiperidin-1-yl)phenyl]methanamine?
[3-(3-fluoropiperidin-1-yl)phenyl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoropiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 115025964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).