4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine

C15H22FN3O — CID 66236106

IUPAC4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine
SMILESNC1COCC1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c16-13-1-3-14(4-2-13)19-7-5-18(6-8-19)9-12-10-20-11-15(12)17/h1-4,12,15H,5-11,17H2
InChIKeyCZJXGUNJPBQTJL-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.92
Rot. Bonds3

About 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine

4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine (PubChem CID 66236106) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine
PubChem CID66236106
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine
SMILESNC1COCC1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c16-13-1-3-14(4-2-13)19-7-5-18(6-8-19)9-12-10-20-11-15(12)17/h1-4,12,15H,5-11,17H2
InChIKeyCZJXGUNJPBQTJL-UHFFFAOYSA-N
XLogP0.92
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 62610058
3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine
CID 103058461
1-(4-fluorophenyl)-4-[[(4R)-4-methylpyrrolidin-3-yl]methyl]-1,4-diazepane
CID 142524325
1-(4-iodophenyl)-4-(oxetan-3-ylmethyl)piperazine
CID 121246925
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103058539
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]azepane
CID 64569761
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-1,4-diazepane
CID 134708736
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 23504798
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]aniline
CID 61312636

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine?
The IUPAC name of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine (CID 66236106) is 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine is NC1COCC1CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine?
The InChIKey is CZJXGUNJPBQTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-13-1-3-14(4-2-13)19-7-5-18(6-8-19)9-12-10-20-11-15(12)17/h1-4,12,15H,5-11,17H2.
What are the key properties of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine?
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine has a molecular weight of 279.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 66236106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).