[4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine

C16H24FN3O — CID 43608690

IUPAC[4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine
SMILESNCC1(N2CCN(c3ccc(F)cc3)CC2)CCOCC1
InChIInChI=1S/C16H24FN3O/c17-14-1-3-15(4-2-14)19-7-9-20(10-8-19)16(13-18)5-11-21-12-6-16/h1-4H,5-13,18H2
InChIKeyMBFWUWUPASZBNQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.46
Rot. Bonds3

About [4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine

[4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine (PubChem CID 43608690) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is [4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine
PubChem CID43608690
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name[4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine
SMILESNCC1(N2CCN(c3ccc(F)cc3)CC2)CCOCC1
InChIInChI=1S/C16H24FN3O/c17-14-1-3-15(4-2-14)19-7-9-20(10-8-19)16(13-18)5-11-21-12-6-16/h1-4H,5-13,18H2
InChIKeyMBFWUWUPASZBNQ-UHFFFAOYSA-N
XLogP1.46
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine?
The IUPAC name of [4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine (CID 43608690) is [4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine is NCC1(N2CCN(c3ccc(F)cc3)CC2)CCOCC1.
What is the InChIKey of [4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine?
The InChIKey is MBFWUWUPASZBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c17-14-1-3-15(4-2-14)19-7-9-20(10-8-19)16(13-18)5-11-21-12-6-16/h1-4H,5-13,18H2.
What are the key properties of [4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine?
[4-[4-(4-fluorophenyl)piperazin-1-yl]oxan-4-yl]methanamine has a molecular weight of 293.39 g/mol, XLogP of 1.46, 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]oxan-4-yl]methanamine is sourced from PubChem (CID 43608690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).