1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol

C23H25FN2O2 — CID 2770451

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN2O2/c24-20-6-8-21(9-7-20)26-13-11-25(12-14-26)16-22(27)17-28-23-10-5-18-3-1-2-4-19(18)15-23/h1-10,15,22,27H,11-14,16-17H2
InChIKeyUUCKCNNKWXPQDC-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.54
Rot. Bonds6

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 2770451) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
PubChem CID2770451
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN2O2/c24-20-6-8-21(9-7-20)26-13-11-25(12-14-26)16-22(27)17-28-23-10-5-18-3-1-2-4-19(18)15-23/h1-10,15,22,27H,11-14,16-17H2
InChIKeyUUCKCNNKWXPQDC-UHFFFAOYSA-N
XLogP3.54
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol (CID 2770451) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol is OC(COc1ccc2ccccc2c1)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is UUCKCNNKWXPQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c24-20-6-8-21(9-7-20)26-13-11-25(12-14-26)16-22(27)17-28-23-10-5-18-3-1-2-4-19(18)15-23/h1-10,15,22,27H,11-14,16-17H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol?
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 380.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 2770451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).