1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine

C20H29FN6 — CID 647539

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
SMILESCC(C)C(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H29FN6/c1-15(2)19(20-22-23-24-27(20)16-7-3-4-8-16)26-13-11-25(12-14-26)18-10-6-5-9-17(18)21/h5-6,9-10,15-16,19H,3-4,7-8,11-14H2,1-2H3
InChIKeyZCHBJHCXZAOMIR-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.45
Rot. Bonds5

About 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine

1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine (PubChem CID 647539) has the molecular formula C20H29FN6 and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
PubChem CID647539
Molecular FormulaC20H29FN6
Molecular Weight372.49 g/mol
Exact Mass372.24
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
SMILESCC(C)C(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H29FN6/c1-15(2)19(20-22-23-24-27(20)16-7-3-4-8-16)26-13-11-25(12-14-26)18-10-6-5-9-17(18)21/h5-6,9-10,15-16,19H,3-4,7-8,11-14H2,1-2H3
InChIKeyZCHBJHCXZAOMIR-UHFFFAOYSA-N
XLogP3.45
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine (CID 647539) is 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine is CC(C)C(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is ZCHBJHCXZAOMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN6/c1-15(2)19(20-22-23-24-27(20)16-7-3-4-8-16)26-13-11-25(12-14-26)18-10-6-5-9-17(18)21/h5-6,9-10,15-16,19H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine?
1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 372.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 647539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).