1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol

C18H29FN2O2 — CID 16958211

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol
SMILESCCC(C)(C)OCC(O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H29FN2O2/c1-4-18(2,3)23-14-15(22)13-20-9-11-21(12-10-20)17-8-6-5-7-16(17)19/h5-8,15,22H,4,9-14H2,1-3H3
InChIKeyPLANWLCQUHDXGT-UHFFFAOYSA-N
MW324.44 g/mol
LogP2.51
Rot. Bonds7

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol (PubChem CID 16958211) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol
PubChem CID16958211
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol
SMILESCCC(C)(C)OCC(O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H29FN2O2/c1-4-18(2,3)23-14-15(22)13-20-9-11-21(12-10-20)17-8-6-5-7-16(17)19/h5-8,15,22H,4,9-14H2,1-3H3
InChIKeyPLANWLCQUHDXGT-UHFFFAOYSA-N
XLogP2.51
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol (CID 16958211) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol is CCC(C)(C)OCC(O)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol?
The InChIKey is PLANWLCQUHDXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O2/c1-4-18(2,3)23-14-15(22)13-20-9-11-21(12-10-20)17-8-6-5-7-16(17)19/h5-8,15,22H,4,9-14H2,1-3H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol?
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol has a molecular weight of 324.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylbutan-2-yloxy)propan-2-ol is sourced from PubChem (CID 16958211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).