4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol

C22H27FN6O — CID 3209794

IUPAC4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol
SMILESCC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H27FN6O/c1-16(2)21(22-24-25-26-29(22)15-17-3-5-18(23)6-4-17)28-13-11-27(12-14-28)19-7-9-20(30)10-8-19/h3-10,16,21,30H,11-15H2,1-2H3
InChIKeyUZURYGOXPGLNRO-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.09
Rot. Bonds6

About 4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol

4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol (PubChem CID 3209794) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol
PubChem CID3209794
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC Name4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol
SMILESCC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H27FN6O/c1-16(2)21(22-24-25-26-29(22)15-17-3-5-18(23)6-4-17)28-13-11-27(12-14-28)19-7-9-20(30)10-8-19/h3-10,16,21,30H,11-15H2,1-2H3
InChIKeyUZURYGOXPGLNRO-UHFFFAOYSA-N
XLogP3.09
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol (CID 3209794) is 4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol is CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol?
The InChIKey is UZURYGOXPGLNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-16(2)21(22-24-25-26-29(22)15-17-3-5-18(23)6-4-17)28-13-11-27(12-14-28)19-7-9-20(30)10-8-19/h3-10,16,21,30H,11-15H2,1-2H3.
What are the key properties of 4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol?
4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol has a molecular weight of 410.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol is sourced from PubChem (CID 3209794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).