1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol

C14H19BrFNO — CID 103728236

IUPAC1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C14H19BrFNO/c1-10(18)12-2-4-17(5-3-12)9-11-6-13(15)8-14(16)7-11/h6-8,10,12,18H,2-5,9H2,1H3
InChIKeyIPMBFVAFJFNSNV-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.18
Rot. Bonds3

About 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol

1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol (PubChem CID 103728236) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
PubChem CID103728236
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C14H19BrFNO/c1-10(18)12-2-4-17(5-3-12)9-11-6-13(15)8-14(16)7-11/h6-8,10,12,18H,2-5,9H2,1H3
InChIKeyIPMBFVAFJFNSNV-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylazepane
CID 79706574
1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
CID 103657050
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103657157
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
1-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 79706473
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103728195
1-[(3-bromo-5-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959990
1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol
CID 106836470
1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol
CID 115822808
4-[(3-bromo-5-fluorophenyl)methyl]morpholine
CID 79673314
1-[(3-bromo-5-fluorophenyl)methyl]-2-(2-chloropropyl)pyrrolidine
CID 112747891

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol (CID 103728236) is 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2cc(F)cc(Br)c2)CC1.
What is the InChIKey of 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol?
The InChIKey is IPMBFVAFJFNSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-10(18)12-2-4-17(5-3-12)9-11-6-13(15)8-14(16)7-11/h6-8,10,12,18H,2-5,9H2,1H3.
What are the key properties of 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol?
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol has a molecular weight of 316.21 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 103728236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).