[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol

C12H15BrFNO — CID 171063345

IUPAC[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol
SMILESOCC1(F)CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H15BrFNO/c13-10-1-3-11(4-2-10)15-7-5-12(14,9-16)6-8-15/h1-4,16H,5-9H2
InChIKeyIUSHZQCSHZJMFL-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.75
Rot. Bonds2

About [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol

[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol (PubChem CID 171063345) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol
PubChem CID171063345
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol
SMILESOCC1(F)CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H15BrFNO/c13-10-1-3-11(4-2-10)15-7-5-12(14,9-16)6-8-15/h1-4,16H,5-9H2
InChIKeyIUSHZQCSHZJMFL-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol?
The IUPAC name of [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol (CID 171063345) is [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol?
The canonical SMILES for [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol is OCC1(F)CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol?
The InChIKey is IUSHZQCSHZJMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-10-1-3-11(4-2-10)15-7-5-12(14,9-16)6-8-15/h1-4,16H,5-9H2.
What are the key properties of [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol?
[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol has a molecular weight of 288.16 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanol is sourced from PubChem (CID 171063345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).