4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine

C13H17BrFN — CID 155413106

IUPAC4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine
SMILESFCCN1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17BrFN/c14-13-3-1-11(2-4-13)12-5-8-16(9-6-12)10-7-15/h1-4,12H,5-10H2
InChIKeyQWFUVJZQSANSRR-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.60
Rot. Bonds3

About 4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine

4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine (PubChem CID 155413106) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine
PubChem CID155413106
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine
SMILESFCCN1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17BrFN/c14-13-3-1-11(2-4-13)12-5-8-16(9-6-12)10-7-15/h1-4,12H,5-10H2
InChIKeyQWFUVJZQSANSRR-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine?
The IUPAC name of 4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine (CID 155413106) is 4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine.
What is the SMILES notation for 4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine?
The canonical SMILES for 4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine is FCCN1CCC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine?
The InChIKey is QWFUVJZQSANSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c14-13-3-1-11(2-4-13)12-5-8-16(9-6-12)10-7-15/h1-4,12H,5-10H2.
What are the key properties of 4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine?
4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine has a molecular weight of 286.19 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-(2-fluoroethyl)piperidine is sourced from PubChem (CID 155413106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).