1-(4-fluoro-2-methylphenyl)piperidin-3-amine

C12H17FN2 — CID 54594111

IUPAC1-(4-fluoro-2-methylphenyl)piperidin-3-amine
SMILESCc1cc(F)ccc1N1CCCC(N)C1
InChIInChI=1S/C12H17FN2/c1-9-7-10(13)4-5-12(9)15-6-2-3-11(14)8-15/h4-5,7,11H,2-3,6,8,14H2,1H3
InChIKeyUTLDLISFEIXNHH-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.06
Rot. Bonds1

About 1-(4-fluoro-2-methylphenyl)piperidin-3-amine

1-(4-fluoro-2-methylphenyl)piperidin-3-amine (PubChem CID 54594111) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)piperidin-3-amine
PubChem CID54594111
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(4-fluoro-2-methylphenyl)piperidin-3-amine
SMILESCc1cc(F)ccc1N1CCCC(N)C1
InChIInChI=1S/C12H17FN2/c1-9-7-10(13)4-5-12(9)15-6-2-3-11(14)8-15/h4-5,7,11H,2-3,6,8,14H2,1H3
InChIKeyUTLDLISFEIXNHH-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)piperidin-3-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)piperidin-3-amine (CID 54594111) is 1-(4-fluoro-2-methylphenyl)piperidin-3-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)piperidin-3-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)piperidin-3-amine is Cc1cc(F)ccc1N1CCCC(N)C1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)piperidin-3-amine?
The InChIKey is UTLDLISFEIXNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-7-10(13)4-5-12(9)15-6-2-3-11(14)8-15/h4-5,7,11H,2-3,6,8,14H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)piperidin-3-amine?
1-(4-fluoro-2-methylphenyl)piperidin-3-amine has a molecular weight of 208.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 54594111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).