2-(4-bromophenyl)-1-piperidin-4-ylethanol

C13H18BrNO — CID 79016497

IUPAC2-(4-bromophenyl)-1-piperidin-4-ylethanol
SMILESOC(Cc1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C13H18BrNO/c14-12-3-1-10(2-4-12)9-13(16)11-5-7-15-8-6-11/h1-4,11,13,15-16H,5-9H2
InChIKeyKSLOJBXJBMSNAK-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-bromophenyl)-1-piperidin-4-ylethanol

2-(4-bromophenyl)-1-piperidin-4-ylethanol (PubChem CID 79016497) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-piperidin-4-ylethanol
PubChem CID79016497
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-(4-bromophenyl)-1-piperidin-4-ylethanol
SMILESOC(Cc1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C13H18BrNO/c14-12-3-1-10(2-4-12)9-13(16)11-5-7-15-8-6-11/h1-4,11,13,15-16H,5-9H2
InChIKeyKSLOJBXJBMSNAK-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-piperidin-4-ylethanol?
The IUPAC name of 2-(4-bromophenyl)-1-piperidin-4-ylethanol (CID 79016497) is 2-(4-bromophenyl)-1-piperidin-4-ylethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-piperidin-4-ylethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-piperidin-4-ylethanol is OC(Cc1ccc(Br)cc1)C1CCNCC1.
What is the InChIKey of 2-(4-bromophenyl)-1-piperidin-4-ylethanol?
The InChIKey is KSLOJBXJBMSNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-3-1-10(2-4-12)9-13(16)11-5-7-15-8-6-11/h1-4,11,13,15-16H,5-9H2.
What are the key properties of 2-(4-bromophenyl)-1-piperidin-4-ylethanol?
2-(4-bromophenyl)-1-piperidin-4-ylethanol has a molecular weight of 284.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-piperidin-4-ylethanol is sourced from PubChem (CID 79016497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).