1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol

C20H23FN6O — CID 22432159

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol
SMILESOC(CN1CCN(c2ccccc2F)CC1)Cn1nnnc1-c1ccccc1
InChIInChI=1S/C20H23FN6O/c21-18-8-4-5-9-19(18)26-12-10-25(11-13-26)14-17(28)15-27-20(22-23-24-27)16-6-2-1-3-7-16/h1-9,17,28H,10-15H2
InChIKeyPXHVXSJWHIFIBK-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.66
Rot. Bonds6

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol (PubChem CID 22432159) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol
PubChem CID22432159
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol
SMILESOC(CN1CCN(c2ccccc2F)CC1)Cn1nnnc1-c1ccccc1
InChIInChI=1S/C20H23FN6O/c21-18-8-4-5-9-19(18)26-12-10-25(11-13-26)14-17(28)15-27-20(22-23-24-27)16-6-2-1-3-7-16/h1-9,17,28H,10-15H2
InChIKeyPXHVXSJWHIFIBK-UHFFFAOYSA-N
XLogP1.66
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol (CID 22432159) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol is OC(CN1CCN(c2ccccc2F)CC1)Cn1nnnc1-c1ccccc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol?
The InChIKey is PXHVXSJWHIFIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c21-18-8-4-5-9-19(18)26-12-10-25(11-13-26)14-17(28)15-27-20(22-23-24-27)16-6-2-1-3-7-16/h1-9,17,28H,10-15H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol?
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol has a molecular weight of 382.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-phenyltetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 22432159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).