[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone

C13H16BrNO2 — CID 80677526

IUPAC[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CCC(CBr)CC1
InChIInChI=1S/C13H16BrNO2/c14-9-10-4-6-15(7-5-10)13(17)11-2-1-3-12(16)8-11/h1-3,8,10,16H,4-7,9H2
InChIKeyCLCUYTBDKFCHHS-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.64
Rot. Bonds2

About [4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone

[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone (PubChem CID 80677526) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is [4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
PubChem CID80677526
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CCC(CBr)CC1
InChIInChI=1S/C13H16BrNO2/c14-9-10-4-6-15(7-5-10)13(17)11-2-1-3-12(16)8-11/h1-3,8,10,16H,4-7,9H2
InChIKeyCLCUYTBDKFCHHS-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
[3-(bromomethyl)pyrrolidin-1-yl]-(3-bromophenyl)methanone
CID 80667449
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80677823
[3-(bromomethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 80668330
[4-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80678679
[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672545
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[3-(bromomethyl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 80666970

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone (CID 80677526) is [4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone is O=C(c1cccc(O)c1)N1CCC(CBr)CC1.
What is the InChIKey of [4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is CLCUYTBDKFCHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-9-10-4-6-15(7-5-10)13(17)11-2-1-3-12(16)8-11/h1-3,8,10,16H,4-7,9H2.
What are the key properties of [4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone?
[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 298.18 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 80677526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).