1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine

C16H23FN6 — CID 43811836

IUPAC1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine
SMILESCC(C)(C)n1nnnc1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN6/c1-16(2,3)23-15(18-19-20-23)12-21-8-10-22(11-9-21)14-7-5-4-6-13(14)17/h4-7H,8-12H2,1-3H3
InChIKeyFBXUNGVYTMINKM-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.89
Rot. Bonds3

About 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine

1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine (PubChem CID 43811836) has the molecular formula C16H23FN6 and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine
PubChem CID43811836
Molecular FormulaC16H23FN6
Molecular Weight318.40 g/mol
Exact Mass318.20
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine
SMILESCC(C)(C)n1nnnc1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN6/c1-16(2,3)23-15(18-19-20-23)12-21-8-10-22(11-9-21)14-7-5-4-6-13(14)17/h4-7H,8-12H2,1-3H3
InChIKeyFBXUNGVYTMINKM-UHFFFAOYSA-N
XLogP1.89
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine (CID 43811836) is 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine is CC(C)(C)n1nnnc1CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is FBXUNGVYTMINKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6/c1-16(2,3)23-15(18-19-20-23)12-21-8-10-22(11-9-21)14-7-5-4-6-13(14)17/h4-7H,8-12H2,1-3H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine?
1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 318.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 43811836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).