[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone

C21H30FN3O2 — CID 24791738

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H30FN3O2/c22-18-3-5-19(6-4-18)23-10-12-24(13-11-23)20-2-1-9-25(16-20)21(26)17-7-14-27-15-8-17/h3-6,17,20H,1-2,7-16H2
InChIKeyXHIVHTDDVMEDRJ-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.37
Rot. Bonds3

About [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 24791738) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID24791738
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H30FN3O2/c22-18-3-5-19(6-4-18)23-10-12-24(13-11-23)20-2-1-9-25(16-20)21(26)17-7-14-27-15-8-17/h3-6,17,20H,1-2,7-16H2
InChIKeyXHIVHTDDVMEDRJ-UHFFFAOYSA-N
XLogP2.37
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone (CID 24791738) is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is XHIVHTDDVMEDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c22-18-3-5-19(6-4-18)23-10-12-24(13-11-23)20-2-1-9-25(16-20)21(26)17-7-14-27-15-8-17/h3-6,17,20H,1-2,7-16H2.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 375.49 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 24791738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).