1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine

C16H23FN6 — CID 3209775

IUPAC1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine
SMILESCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C)CC1
InChIInChI=1S/C16H23FN6/c1-3-15(22-10-8-21(2)9-11-22)16-18-19-20-23(16)12-13-4-6-14(17)7-5-13/h4-7,15H,3,8-12H2,1-2H3
InChIKeyYXBRAKAHIAXUSW-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.56
Rot. Bonds5

About 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine

1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine (PubChem CID 3209775) has the molecular formula C16H23FN6 and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine
PubChem CID3209775
Molecular FormulaC16H23FN6
Molecular Weight318.40 g/mol
Exact Mass318.20
IUPAC Name1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine
SMILESCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C)CC1
InChIInChI=1S/C16H23FN6/c1-3-15(22-10-8-21(2)9-11-22)16-18-19-20-23(16)12-13-4-6-14(17)7-5-13/h4-7,15H,3,8-12H2,1-2H3
InChIKeyYXBRAKAHIAXUSW-UHFFFAOYSA-N
XLogP1.56
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine (CID 3209775) is 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine is CCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C)CC1.
What is the InChIKey of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine?
The InChIKey is YXBRAKAHIAXUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6/c1-3-15(22-10-8-21(2)9-11-22)16-18-19-20-23(16)12-13-4-6-14(17)7-5-13/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine?
1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine has a molecular weight of 318.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-4-methylpiperazine is sourced from PubChem (CID 3209775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).