2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone

C20H22BrNO2 — CID 8938

IUPAC2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(CBr)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H22BrNO2/c21-15-19(23)22-13-11-18(12-14-22)20(24,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,24H,11-15H2
InChIKeyHIDNFGJRJQKLLL-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.56
Rot. Bonds4

About 2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone

2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 8938) has the molecular formula C20H22BrNO2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone
PubChem CID8938
Molecular FormulaC20H22BrNO2
Molecular Weight388.31 g/mol
Exact Mass387.08
IUPAC Name2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(CBr)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H22BrNO2/c21-15-19(23)22-13-11-18(12-14-22)20(24,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,24H,11-15H2
InChIKeyHIDNFGJRJQKLLL-UHFFFAOYSA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone (CID 8938) is 2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone is O=C(CBr)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is HIDNFGJRJQKLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO2/c21-15-19(23)22-13-11-18(12-14-22)20(24,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,24H,11-15H2.
What are the key properties of 2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone?
2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 388.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 8938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).