1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride

C21H32ClFN6 — CID 6603052

IUPAC1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride
SMILESCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1.Cl
InChIInChI=1S/C21H31FN6.ClH/c1-2-20(27-14-12-26(13-15-27)19-6-4-3-5-7-19)21-23-24-25-28(21)16-17-8-10-18(22)11-9-17;/h8-11,19-20H,2-7,12-16H2,1H3;1H
InChIKeyFOSOEANWABQAQG-UHFFFAOYSA-N
MW422.98 g/mol
LogP3.68
Rot. Bonds6

About 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride

1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride (PubChem CID 6603052) has the molecular formula C21H32ClFN6 and a molecular weight of 422.98 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride
PubChem CID6603052
Molecular FormulaC21H32ClFN6
Molecular Weight422.98 g/mol
Exact Mass422.24
IUPAC Name1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride
SMILESCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1.Cl
InChIInChI=1S/C21H31FN6.ClH/c1-2-20(27-14-12-26(13-15-27)19-6-4-3-5-7-19)21-23-24-25-28(21)16-17-8-10-18(22)11-9-17;/h8-11,19-20H,2-7,12-16H2,1H3;1H
InChIKeyFOSOEANWABQAQG-UHFFFAOYSA-N
XLogP3.68
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 53.68
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]propyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride (CID 6603052) is 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride is CCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1.Cl.
What is the InChIKey of 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride?
The InChIKey is FOSOEANWABQAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN6.ClH/c1-2-20(27-14-12-26(13-15-27)19-6-4-3-5-7-19)21-23-24-25-28(21)16-17-8-10-18(22)11-9-17;/h8-11,19-20H,2-7,12-16H2,1H3;1H.
What are the key properties of 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride?
1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride has a molecular weight of 422.98 g/mol, XLogP of 3.68, 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]propyl]piperazine;hydrochloride is sourced from PubChem (CID 6603052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).