[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol

C17H20BrNO2 — CID 60642590

IUPAC[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2ccc(-c3ccc(Br)cc3)o2)C1
InChIInChI=1S/C17H20BrNO2/c18-15-5-3-14(4-6-15)17-8-7-16(21-17)11-19-9-1-2-13(10-19)12-20/h3-8,13,20H,1-2,9-12H2
InChIKeyASIPRNXTZCIQJN-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.91
Rot. Bonds4

About [1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol

[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol (PubChem CID 60642590) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is [1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol
PubChem CID60642590
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2ccc(-c3ccc(Br)cc3)o2)C1
InChIInChI=1S/C17H20BrNO2/c18-15-5-3-14(4-6-15)17-8-7-16(21-17)11-19-9-1-2-13(10-19)12-20/h3-8,13,20H,1-2,9-12H2
InChIKeyASIPRNXTZCIQJN-UHFFFAOYSA-N
XLogP3.91
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60670195
[(3S)-1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 97158378
1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63032039
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316758
[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 30842680
3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 42415670
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60670196
[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 110225897
[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol
CID 60642353
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol (CID 60642590) is [1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol is OCC1CCCN(Cc2ccc(-c3ccc(Br)cc3)o2)C1.
What is the InChIKey of [1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is ASIPRNXTZCIQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c18-15-5-3-14(4-6-15)17-8-7-16(21-17)11-19-9-1-2-13(10-19)12-20/h3-8,13,20H,1-2,9-12H2.
What are the key properties of [1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol?
[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 350.26 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 60642590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).