1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine

C22H26F2N6 — CID 36840528

IUPAC1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine
SMILESCCCn1nnnc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26F2N6/c1-2-11-30-21(25-26-27-30)16-28-12-14-29(15-13-28)22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,22H,2,11-16H2,1H3
InChIKeyYWZLRZBWUGRTOT-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.27
Rot. Bonds7

About 1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine

1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine (PubChem CID 36840528) has the molecular formula C22H26F2N6 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine
PubChem CID36840528
Molecular FormulaC22H26F2N6
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine
SMILESCCCn1nnnc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26F2N6/c1-2-11-30-21(25-26-27-30)16-28-12-14-29(15-13-28)22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,22H,2,11-16H2,1H3
InChIKeyYWZLRZBWUGRTOT-UHFFFAOYSA-N
XLogP3.27
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine (CID 36840528) is 1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine is CCCn1nnnc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine?
The InChIKey is YWZLRZBWUGRTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N6/c1-2-11-30-21(25-26-27-30)16-28-12-14-29(15-13-28)22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,22H,2,11-16H2,1H3.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine?
1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine has a molecular weight of 412.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 36840528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).