(5S)-5-(4-bromophenyl)piperidin-2-one

C11H12BrNO — CID 74763839

IUPAC(5S)-5-(4-bromophenyl)piperidin-2-one
SMILESO=C1CC[C@@H](c2ccc(Br)cc2)CN1
InChIInChI=1S/C11H12BrNO/c12-10-4-1-8(2-5-10)9-3-6-11(14)13-7-9/h1-2,4-5,9H,3,6-7H2,(H,13,14)/t9-/m1/s1
InChIKeyFDBGOSSOFAVGLI-SECBINFHSA-N
MW254.13 g/mol
LogP2.44
Rot. Bonds1

About (5S)-5-(4-bromophenyl)piperidin-2-one

(5S)-5-(4-bromophenyl)piperidin-2-one (PubChem CID 74763839) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (5S)-5-(4-bromophenyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(4-bromophenyl)piperidin-2-one
PubChem CID74763839
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name(5S)-5-(4-bromophenyl)piperidin-2-one
SMILESO=C1CC[C@@H](c2ccc(Br)cc2)CN1
InChIInChI=1S/C11H12BrNO/c12-10-4-1-8(2-5-10)9-3-6-11(14)13-7-9/h1-2,4-5,9H,3,6-7H2,(H,13,14)/t9-/m1/s1
InChIKeyFDBGOSSOFAVGLI-SECBINFHSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-bromophenyl)piperidin-2-one?
The IUPAC name of (5S)-5-(4-bromophenyl)piperidin-2-one (CID 74763839) is (5S)-5-(4-bromophenyl)piperidin-2-one.
What is the SMILES notation for (5S)-5-(4-bromophenyl)piperidin-2-one?
The canonical SMILES for (5S)-5-(4-bromophenyl)piperidin-2-one is O=C1CC[C@@H](c2ccc(Br)cc2)CN1.
What is the InChIKey of (5S)-5-(4-bromophenyl)piperidin-2-one?
The InChIKey is FDBGOSSOFAVGLI-SECBINFHSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-4-1-8(2-5-10)9-3-6-11(14)13-7-9/h1-2,4-5,9H,3,6-7H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (5S)-5-(4-bromophenyl)piperidin-2-one?
(5S)-5-(4-bromophenyl)piperidin-2-one has a molecular weight of 254.13 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-bromophenyl)piperidin-2-one is sourced from PubChem (CID 74763839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).