1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine

C24H29FN6 — CID 3209702

IUPAC1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine
SMILESFc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C24H29FN6/c25-21-12-10-20(11-13-21)23(30-16-14-29(15-17-30)22-8-4-5-9-22)24-26-27-28-31(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2
InChIKeyILQWFWXLDPQQGC-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.51
Rot. Bonds6

About 1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine

1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine (PubChem CID 3209702) has the molecular formula C24H29FN6 and a molecular weight of 420.54 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine
PubChem CID3209702
Molecular FormulaC24H29FN6
Molecular Weight420.54 g/mol
Exact Mass420.24
IUPAC Name1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine
SMILESFc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C24H29FN6/c25-21-12-10-20(11-13-21)23(30-16-14-29(15-17-30)22-8-4-5-9-22)24-26-27-28-31(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2
InChIKeyILQWFWXLDPQQGC-UHFFFAOYSA-N
XLogP3.51
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine (CID 3209702) is 1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine is Fc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine?
The InChIKey is ILQWFWXLDPQQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6/c25-21-12-10-20(11-13-21)23(30-16-14-29(15-17-30)22-8-4-5-9-22)24-26-27-28-31(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine?
1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine has a molecular weight of 420.54 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 3209702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).