1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine

C25H31FN6O2 — CID 649079

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESCOc1ccc(OC)c(C(c2nnnn2C2CCCC2)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C25H31FN6O2/c1-33-21-11-12-23(34-2)22(17-21)24(25-27-28-29-32(25)20-5-3-4-6-20)31-15-13-30(14-16-31)19-9-7-18(26)8-10-19/h7-12,17,20,24H,3-6,13-16H2,1-2H3
InChIKeyCNGTZCYFEYRLDM-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.86
Rot. Bonds7

About 1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine

1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 649079) has the molecular formula C25H31FN6O2 and a molecular weight of 466.56 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID649079
Molecular FormulaC25H31FN6O2
Molecular Weight466.56 g/mol
Exact Mass466.25
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESCOc1ccc(OC)c(C(c2nnnn2C2CCCC2)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C25H31FN6O2/c1-33-21-11-12-23(34-2)22(17-21)24(25-27-28-29-32(25)20-5-3-4-6-20)31-15-13-30(14-16-31)19-9-7-18(26)8-10-19/h7-12,17,20,24H,3-6,13-16H2,1-2H3
InChIKeyCNGTZCYFEYRLDM-UHFFFAOYSA-N
XLogP3.86
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine (CID 649079) is 1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine is COc1ccc(OC)c(C(c2nnnn2C2CCCC2)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is CNGTZCYFEYRLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O2/c1-33-21-11-12-23(34-2)22(17-21)24(25-27-28-29-32(25)20-5-3-4-6-20)31-15-13-30(14-16-31)19-9-7-18(26)8-10-19/h7-12,17,20,24H,3-6,13-16H2,1-2H3.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 466.56 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 649079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).