[4-(3-fluoropiperidin-1-yl)phenyl]methanamine

C12H17FN2 — CID 83854012

IUPAC[4-(3-fluoropiperidin-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCCC(F)C2)cc1
InChIInChI=1S/C12H17FN2/c13-11-2-1-7-15(9-11)12-5-3-10(8-14)4-6-12/h3-6,11H,1-2,7-9,14H2
InChIKeyNETCYIGVKPIAOD-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.08
Rot. Bonds2

About [4-(3-fluoropiperidin-1-yl)phenyl]methanamine

[4-(3-fluoropiperidin-1-yl)phenyl]methanamine (PubChem CID 83854012) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [4-(3-fluoropiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-fluoropiperidin-1-yl)phenyl]methanamine
PubChem CID83854012
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[4-(3-fluoropiperidin-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCCC(F)C2)cc1
InChIInChI=1S/C12H17FN2/c13-11-2-1-7-15(9-11)12-5-3-10(8-14)4-6-12/h3-6,11H,1-2,7-9,14H2
InChIKeyNETCYIGVKPIAOD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[3-(3-fluoropiperidin-1-yl)phenyl]methanamine
CID 115025964
[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 75485261
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081
4-(3-fluoropiperidin-1-yl)benzonitrile
CID 105456209
[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]methanamine
CID 62987895
5-(3-fluoropiperidin-1-yl)-2-methylpyridine
CID 156752811
(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
CID 166093392
1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786246
[4-(4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)phenyl]methanamine
CID 66486623
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine
CID 83822888
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoropiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [4-(3-fluoropiperidin-1-yl)phenyl]methanamine (CID 83854012) is [4-(3-fluoropiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-fluoropiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-fluoropiperidin-1-yl)phenyl]methanamine is NCc1ccc(N2CCCC(F)C2)cc1.
What is the InChIKey of [4-(3-fluoropiperidin-1-yl)phenyl]methanamine?
The InChIKey is NETCYIGVKPIAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-2-1-7-15(9-11)12-5-3-10(8-14)4-6-12/h3-6,11H,1-2,7-9,14H2.
What are the key properties of [4-(3-fluoropiperidin-1-yl)phenyl]methanamine?
[4-(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 [4-(3-fluoropiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 83854012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).