1-[(3-bromophenyl)methyl]piperidin-4-ol

C12H16BrNO — CID 765218

IUPAC1-[(3-bromophenyl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C12H16BrNO/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9H2
InChIKeyGYEDHELORMIYNA-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.41
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]piperidin-4-ol

1-[(3-bromophenyl)methyl]piperidin-4-ol (PubChem CID 765218) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]piperidin-4-ol
PubChem CID765218
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-[(3-bromophenyl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C12H16BrNO/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9H2
InChIKeyGYEDHELORMIYNA-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(3-bromophenyl)methyl]piperidin-4-ol (CID 765218) is 1-[(3-bromophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(3-bromophenyl)methyl]piperidin-4-ol is OC1CCN(Cc2cccc(Br)c2)CC1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]piperidin-4-ol?
The InChIKey is GYEDHELORMIYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9H2.
What are the key properties of 1-[(3-bromophenyl)methyl]piperidin-4-ol?
1-[(3-bromophenyl)methyl]piperidin-4-ol has a molecular weight of 270.17 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 765218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).