(2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C13H16BrNO2 — CID 603309

IUPAC(2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCCCC1CO
InChIInChI=1S/C13H16BrNO2/c14-12-7-2-1-6-11(12)13(17)15-8-4-3-5-10(15)9-16/h1-2,6-7,10,16H,3-5,8-9H2
InChIKeyCPSKGHZHNQHOEX-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.44
Rot. Bonds2

About (2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 603309) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is (2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID603309
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name(2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCCCC1CO
InChIInChI=1S/C13H16BrNO2/c14-12-7-2-1-6-11(12)13(17)15-8-4-3-5-10(15)9-16/h1-2,6-7,10,16H,3-5,8-9H2
InChIKeyCPSKGHZHNQHOEX-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 603309) is (2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccccc1Br)N1CCCCC1CO.
What is the InChIKey of (2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is CPSKGHZHNQHOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-12-7-2-1-6-11(12)13(17)15-8-4-3-5-10(15)9-16/h1-2,6-7,10,16H,3-5,8-9H2.
What are the key properties of (2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 298.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 603309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).