[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol

C12H16BrNO — CID 71228209

IUPAC[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol
SMILESOCC1CNCC[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10?,12-/m1/s1
InChIKeyZITZNOAQYKBAAG-TVKKRMFBSA-N
MW270.17 g/mol
LogP2.13
Rot. Bonds2

About [(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol

[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol (PubChem CID 71228209) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is [(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol
PubChem CID71228209
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol
SMILESOCC1CNCC[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10?,12-/m1/s1
InChIKeyZITZNOAQYKBAAG-TVKKRMFBSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol?
The IUPAC name of [(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol (CID 71228209) is [(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol?
The canonical SMILES for [(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol is OCC1CNCC[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of [(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol?
The InChIKey is ZITZNOAQYKBAAG-TVKKRMFBSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10?,12-/m1/s1.
What are the key properties of [(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol?
[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol has a molecular weight of 270.17 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 71228209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).