[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone

C16H22FN3O2 — CID 51074617

IUPAC[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O2/c17-15-4-2-1-3-14(15)13-18-5-7-19(8-6-18)16(21)20-9-11-22-12-10-20/h1-4H,5-13H2
InChIKeyAOSXXBCPYWVTQG-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.40
Rot. Bonds2

About [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 51074617) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID51074617
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O2/c17-15-4-2-1-3-14(15)13-18-5-7-19(8-6-18)16(21)20-9-11-22-12-10-20/h1-4H,5-13H2
InChIKeyAOSXXBCPYWVTQG-UHFFFAOYSA-N
XLogP1.40
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 51074617) is [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is AOSXXBCPYWVTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-15-4-2-1-3-14(15)13-18-5-7-19(8-6-18)16(21)20-9-11-22-12-10-20/h1-4H,5-13H2.
What are the key properties of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 307.37 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51074617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).