1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine

C14H21FN2 — CID 117025355

IUPAC1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine
SMILESCNC1CN(c2ccc(F)cc2)CCC1(C)C
InChIInChI=1S/C14H21FN2/c1-14(2)8-9-17(10-13(14)16-3)12-6-4-11(15)5-7-12/h4-7,13,16H,8-10H2,1-3H3
InChIKeyDJJJVFFRCPFVGA-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.65
Rot. Bonds2

About 1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine

1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine (PubChem CID 117025355) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine
PubChem CID117025355
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine
SMILESCNC1CN(c2ccc(F)cc2)CCC1(C)C
InChIInChI=1S/C14H21FN2/c1-14(2)8-9-17(10-13(14)16-3)12-6-4-11(15)5-7-12/h4-7,13,16H,8-10H2,1-3H3
InChIKeyDJJJVFFRCPFVGA-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine?
The IUPAC name of 1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine (CID 117025355) is 1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine is CNC1CN(c2ccc(F)cc2)CCC1(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine?
The InChIKey is DJJJVFFRCPFVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-14(2)8-9-17(10-13(14)16-3)12-6-4-11(15)5-7-12/h4-7,13,16H,8-10H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine?
1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine has a molecular weight of 236.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,4,4-trimethylpiperidin-3-amine is sourced from PubChem (CID 117025355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).