2-[1-(4-bromophenyl)piperidin-4-yl]ethanol

C13H18BrNO — CID 117003534

IUPAC2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrNO/c14-12-1-3-13(4-2-12)15-8-5-11(6-9-15)7-10-16/h1-4,11,16H,5-10H2
InChIKeyDNGDKFOVSGKNTB-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.05
Rot. Bonds3

About 2-[1-(4-bromophenyl)piperidin-4-yl]ethanol

2-[1-(4-bromophenyl)piperidin-4-yl]ethanol (PubChem CID 117003534) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
PubChem CID117003534
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrNO/c14-12-1-3-13(4-2-12)15-8-5-11(6-9-15)7-10-16/h1-4,11,16H,5-10H2
InChIKeyDNGDKFOVSGKNTB-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(4-bromophenyl)piperidin-4-yl]ethanol (CID 117003534) is 2-[1-(4-bromophenyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(4-bromophenyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(4-bromophenyl)piperidin-4-yl]ethanol is OCCC1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[1-(4-bromophenyl)piperidin-4-yl]ethanol?
The InChIKey is DNGDKFOVSGKNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-1-3-13(4-2-12)15-8-5-11(6-9-15)7-10-16/h1-4,11,16H,5-10H2.
What are the key properties of 2-[1-(4-bromophenyl)piperidin-4-yl]ethanol?
2-[1-(4-bromophenyl)piperidin-4-yl]ethanol has a molecular weight of 284.20 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 117003534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).