1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine

C14H20BrFN2 — CID 65437234

IUPAC1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C14H20BrFN2/c1-2-7-17-11-4-3-8-18(10-11)12-5-6-13(15)14(16)9-12/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyHBAURZACGLYETB-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine

1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine (PubChem CID 65437234) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine
PubChem CID65437234
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C14H20BrFN2/c1-2-7-17-11-4-3-8-18(10-11)12-5-6-13(15)14(16)9-12/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyHBAURZACGLYETB-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine (CID 65437234) is 1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine is CCCNC1CCCN(c2ccc(Br)c(F)c2)C1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine?
The InChIKey is HBAURZACGLYETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-2-7-17-11-4-3-8-18(10-11)12-5-6-13(15)14(16)9-12/h5-6,9,11,17H,2-4,7-8,10H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine?
1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine has a molecular weight of 315.23 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 65437234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).