1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine

C14H20BrFN2 — CID 54975397

IUPAC1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(c2ccc(Br)cc2F)CC1C
InChIInChI=1S/C14H20BrFN2/c1-3-17-13-6-7-18(9-10(13)2)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyMORPRDFPQNHLFG-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine

1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine (PubChem CID 54975397) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine
PubChem CID54975397
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(c2ccc(Br)cc2F)CC1C
InChIInChI=1S/C14H20BrFN2/c1-3-17-13-6-7-18(9-10(13)2)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyMORPRDFPQNHLFG-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine (CID 54975397) is 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine is CCNC1CCN(c2ccc(Br)cc2F)CC1C.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
The InChIKey is MORPRDFPQNHLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-3-17-13-6-7-18(9-10(13)2)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine has a molecular weight of 315.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 54975397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).