2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol

C17H23BrFNO — CID 114340107

IUPAC2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCCN1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C17H23BrFNO/c18-13-8-12(9-14(19)10-13)11-20-7-2-1-5-16(20)15-4-3-6-17(15)21/h8-10,15-17,21H,1-7,11H2
InChIKeyYFMXQHACZSLEHS-UHFFFAOYSA-N
MW356.28 g/mol
LogP4.10
Rot. Bonds3

About 2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol

2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol (PubChem CID 114340107) has the molecular formula C17H23BrFNO and a molecular weight of 356.28 g/mol. Its IUPAC name is 2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
PubChem CID114340107
Molecular FormulaC17H23BrFNO
Molecular Weight356.28 g/mol
Exact Mass355.09
IUPAC Name2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCCN1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C17H23BrFNO/c18-13-8-12(9-14(19)10-13)11-20-7-2-1-5-16(20)15-4-3-6-17(15)21/h8-10,15-17,21H,1-7,11H2
InChIKeyYFMXQHACZSLEHS-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
2-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340133
1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 79673021
2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114350545
3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 79673427
2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339286
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339484
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339317
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 79697599
8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79673727

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol (CID 114340107) is 2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol is OC1CCCC1C1CCCCN1Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol?
The InChIKey is YFMXQHACZSLEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFNO/c18-13-8-12(9-14(19)10-13)11-20-7-2-1-5-16(20)15-4-3-6-17(15)21/h8-10,15-17,21H,1-7,11H2.
What are the key properties of 2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol?
2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol has a molecular weight of 356.28 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114340107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).