1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine

C14H19BrFNO — CID 54990148

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine
SMILESCCOC1CCCN(Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H19BrFNO/c1-2-18-12-4-3-7-17(10-12)9-11-5-6-14(16)13(15)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3
InChIKeySZZPGRFQUCZIJD-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.59
Rot. Bonds4

About 1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine

1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine (PubChem CID 54990148) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine
PubChem CID54990148
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine
SMILESCCOC1CCCN(Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H19BrFNO/c1-2-18-12-4-3-7-17(10-12)9-11-5-6-14(16)13(15)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3
InChIKeySZZPGRFQUCZIJD-UHFFFAOYSA-N
XLogP3.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453653
[(3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 40514424
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylazepane
CID 63623198
[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915534
5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline
CID 54985085
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine
CID 134697243
2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
1-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-1,4-diazepane
CID 64859199
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62593610
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
1-[(3-bromo-4-fluorophenyl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64869282
1-[(3-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388237

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine (CID 54990148) is 1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine is CCOC1CCCN(Cc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine?
The InChIKey is SZZPGRFQUCZIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-2-18-12-4-3-7-17(10-12)9-11-5-6-14(16)13(15)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine?
1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine has a molecular weight of 316.21 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine is sourced from PubChem (CID 54990148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).