1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine

C16H23FN2O — CID 56897439

IUPAC1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine
SMILESFc1cccc(CN2CCN(CC3CCOC3)CC2)c1
InChIInChI=1S/C16H23FN2O/c17-16-3-1-2-14(10-16)11-18-5-7-19(8-6-18)12-15-4-9-20-13-15/h1-3,10,15H,4-9,11-13H2
InChIKeyBIQDBLSMBUGEOC-UHFFFAOYSA-N
MW278.37 g/mol
LogP1.98
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine

1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine (PubChem CID 56897439) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine
PubChem CID56897439
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine
SMILESFc1cccc(CN2CCN(CC3CCOC3)CC2)c1
InChIInChI=1S/C16H23FN2O/c17-16-3-1-2-14(10-16)11-18-5-7-19(8-6-18)12-15-4-9-20-13-15/h1-3,10,15H,4-9,11-13H2
InChIKeyBIQDBLSMBUGEOC-UHFFFAOYSA-N
XLogP1.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine (CID 56897439) is 1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine is Fc1cccc(CN2CCN(CC3CCOC3)CC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine?
The InChIKey is BIQDBLSMBUGEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-16-3-1-2-14(10-16)11-18-5-7-19(8-6-18)12-15-4-9-20-13-15/h1-3,10,15H,4-9,11-13H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine?
1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine has a molecular weight of 278.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(oxolan-3-ylmethyl)piperazine is sourced from PubChem (CID 56897439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).