1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine

C16H23BrFN — CID 176959432

IUPAC1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine
SMILESCCCC(Cc1cccc(F)c1Br)N1CCCCC1
InChIInChI=1S/C16H23BrFN/c1-2-7-14(19-10-4-3-5-11-19)12-13-8-6-9-15(18)16(13)17/h6,8-9,14H,2-5,7,10-12H2,1H3
InChIKeyQLWKWEQPJPDKOU-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.79
Rot. Bonds5

About 1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine

1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine (PubChem CID 176959432) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine
PubChem CID176959432
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine
SMILESCCCC(Cc1cccc(F)c1Br)N1CCCCC1
InChIInChI=1S/C16H23BrFN/c1-2-7-14(19-10-4-3-5-11-19)12-13-8-6-9-15(18)16(13)17/h6,8-9,14H,2-5,7,10-12H2,1H3
InChIKeyQLWKWEQPJPDKOU-UHFFFAOYSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-2-bromophenylethylamine
CID 151465
(S)-3-(3-Bromo-phenyl)-1-propyl-piperidine
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2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
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N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine
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N-(3-bromo-4-fluorobenzyl)-N,1-dimethyl-4-piperidinamine
CID 2838199
Piperidine, 1-(o-bromobenzyl)-2,2,6,6-tetramethyl-, hydrochloride
CID 120478
Piperazinium, 4-(o-bromo-alpha-phenylbenzyl)-1-isopropyl-1-methyl-, iodide
CID 3030258
Piperazinium, 4-(o-bromo-alpha-phenylbenzyl)-1-ethyl-1-methyl-, iodide
CID 3066829
Piperidine, 1-(4-(o-bromophenyl)-2-butenyl)-, hydrochloride
CID 6445378
Piperidinium, 1-(4-(o-bromophenyl)-2-butenyl)-1-(3-methyl-4-phenyl-2-butenyl)-, chloride
CID 6445388

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine?
The IUPAC name of 1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine (CID 176959432) is 1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine.
What is the SMILES notation for 1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine?
The canonical SMILES for 1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine is CCCC(Cc1cccc(F)c1Br)N1CCCCC1.
What is the InChIKey of 1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine?
The InChIKey is QLWKWEQPJPDKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-2-7-14(19-10-4-3-5-11-19)12-13-8-6-9-15(18)16(13)17/h6,8-9,14H,2-5,7,10-12H2,1H3.
What are the key properties of 1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine?
1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine has a molecular weight of 328.27 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromo-3-fluorophenyl)pentan-2-yl]piperidine is sourced from PubChem (CID 176959432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).