N-(2-fluorophenyl)-1-methylpiperidin-4-amine

C12H17FN2 — CID 6456366

IUPACN-(2-fluorophenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C12H17FN2/c1-15-8-6-10(7-9-15)14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9H2,1H3
InChIKeyLXPGTAXKWSRCAS-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.33
Rot. Bonds2

About N-(2-fluorophenyl)-1-methylpiperidin-4-amine

N-(2-fluorophenyl)-1-methylpiperidin-4-amine (PubChem CID 6456366) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-methylpiperidin-4-amine
PubChem CID6456366
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-(2-fluorophenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C12H17FN2/c1-15-8-6-10(7-9-15)14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9H2,1H3
InChIKeyLXPGTAXKWSRCAS-UHFFFAOYSA-N
XLogP2.33
TPSA15.27 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-1-methylpiperidin-4-amine (CID 6456366) is N-(2-fluorophenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-1-methylpiperidin-4-amine is CN1CCC(Nc2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)-1-methylpiperidin-4-amine?
The InChIKey is LXPGTAXKWSRCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15-8-6-10(7-9-15)14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9H2,1H3.
What are the key properties of N-(2-fluorophenyl)-1-methylpiperidin-4-amine?
N-(2-fluorophenyl)-1-methylpiperidin-4-amine has a molecular weight of 208.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 6456366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).