4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine

C14H19BrFNO — CID 151585069

IUPAC4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine
SMILESFc1cc(OCCCC2CCNCC2)ccc1Br
InChIInChI=1S/C14H19BrFNO/c15-13-4-3-12(10-14(13)16)18-9-1-2-11-5-7-17-8-6-11/h3-4,10-11,17H,1-2,5-9H2
InChIKeyQHHVZJMOWILUQO-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.75
Rot. Bonds5

About 4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine

4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine (PubChem CID 151585069) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine.

Molecular Properties

Compound Name4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine
PubChem CID151585069
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine
SMILESFc1cc(OCCCC2CCNCC2)ccc1Br
InChIInChI=1S/C14H19BrFNO/c15-13-4-3-12(10-14(13)16)18-9-1-2-11-5-7-17-8-6-11/h3-4,10-11,17H,1-2,5-9H2
InChIKeyQHHVZJMOWILUQO-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-Bromo-phenoxymethyl)-1-(3-fluoro-propyl)-piperidine
CID 10568394
4-(4-Bromo-phenoxymethyl)-1-cyclopropylmethyl-piperidine
CID 44290360
4-(3-Bromo-phenoxymethyl)-1-cyclopropylmethyl-piperidine
CID 44290522
1-[4-(4-Bromophenoxy)butyl]piperidine
CID 2057710
4-[(4-Bromo-phenoxy)-phenyl-methyl]-piperidine
CID 9819594
4-[(3-Bromo-phenoxy)-phenyl-methyl]-piperidine
CID 44367704
1-[2-(4-Bromophenoxy)ethyl]piperidine
CID 867195
1-[4-(4-Bromophenoxy)butyl]-4-methylpiperidine
CID 2269735
1-[4-(2-Bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
3-(4-bromophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 73074007
3-(4-bromo-3-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 164616245
3-(4-bromo-2-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 164626360

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine?
The IUPAC name of 4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine (CID 151585069) is 4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine.
What is the SMILES notation for 4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine?
The canonical SMILES for 4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine is Fc1cc(OCCCC2CCNCC2)ccc1Br.
What is the InChIKey of 4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine?
The InChIKey is QHHVZJMOWILUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c15-13-4-3-12(10-14(13)16)18-9-1-2-11-5-7-17-8-6-11/h3-4,10-11,17H,1-2,5-9H2.
What are the key properties of 4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine?
4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine has a molecular weight of 316.21 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromo-3-fluorophenoxy)propyl]piperidine is sourced from PubChem (CID 151585069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).