1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine

C15H21BrFN — CID 103501620

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(Cc2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H21BrFN/c1-11(2)12-5-7-18(8-6-12)10-13-3-4-14(17)9-15(13)16/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyBVJAHXVUWZNTNU-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.46
Rot. Bonds3

About 1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine

1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine (PubChem CID 103501620) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
PubChem CID103501620
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(Cc2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H21BrFN/c1-11(2)12-5-7-18(8-6-12)10-13-3-4-14(17)9-15(13)16/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyBVJAHXVUWZNTNU-UHFFFAOYSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922355
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360
1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853
1-[(2-bromo-4-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165132
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 103898107
N-[[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62591864
4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 107701911
1-[(2-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388702
1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 63458175
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine (CID 103501620) is 1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine is CC(C)C1CCN(Cc2ccc(F)cc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine?
The InChIKey is BVJAHXVUWZNTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-11(2)12-5-7-18(8-6-12)10-13-3-4-14(17)9-15(13)16/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine?
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine has a molecular weight of 314.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 103501620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).