[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone

C19H19BrFNO2 — CID 46028817

IUPAC[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C19H19BrFNO2/c20-16-7-3-14(4-8-16)13-24-18-2-1-11-22(12-18)19(23)15-5-9-17(21)10-6-15/h3-10,18H,1-2,11-13H2
InChIKeyWQJWXRBPWBTUOE-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.41
Rot. Bonds4

About [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone

[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 46028817) has the molecular formula C19H19BrFNO2 and a molecular weight of 392.27 g/mol. Its IUPAC name is [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID46028817
Molecular FormulaC19H19BrFNO2
Molecular Weight392.27 g/mol
Exact Mass391.06
IUPAC Name[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C19H19BrFNO2/c20-16-7-3-14(4-8-16)13-24-18-2-1-11-22(12-18)19(23)15-5-9-17(21)10-6-15/h3-10,18H,1-2,11-13H2
InChIKeyWQJWXRBPWBTUOE-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 46028817) is [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCCC(OCc2ccc(Br)cc2)C1.
What is the InChIKey of [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is WQJWXRBPWBTUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFNO2/c20-16-7-3-14(4-8-16)13-24-18-2-1-11-22(12-18)19(23)15-5-9-17(21)10-6-15/h3-10,18H,1-2,11-13H2.
What are the key properties of [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone?
[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 392.27 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 46028817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).