1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine

C22H33FN6 — CID 655799

IUPAC1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
SMILESCC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H33FN6/c1-17(2)21(28-14-12-27(13-15-28)20-6-4-3-5-7-20)22-24-25-26-29(22)16-18-8-10-19(23)11-9-18/h8-11,17,20-21H,3-7,12-16H2,1-2H3
InChIKeyBJJOTOMTWWBPGZ-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.51
Rot. Bonds6

About 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine

1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine (PubChem CID 655799) has the molecular formula C22H33FN6 and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
PubChem CID655799
Molecular FormulaC22H33FN6
Molecular Weight400.55 g/mol
Exact Mass400.28
IUPAC Name1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
SMILESCC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H33FN6/c1-17(2)21(28-14-12-27(13-15-28)20-6-4-3-5-7-20)22-24-25-26-29(22)16-18-8-10-19(23)11-9-18/h8-11,17,20-21H,3-7,12-16H2,1-2H3
InChIKeyBJJOTOMTWWBPGZ-UHFFFAOYSA-N
XLogP3.51
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
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-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine (CID 655799) is 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine is CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine?
The InChIKey is BJJOTOMTWWBPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN6/c1-17(2)21(28-14-12-27(13-15-28)20-6-4-3-5-7-20)22-24-25-26-29(22)16-18-8-10-19(23)11-9-18/h8-11,17,20-21H,3-7,12-16H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine?
1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine has a molecular weight of 400.55 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-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine is sourced from PubChem (CID 655799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).