1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine

C17H25FN6 — CID 1448649

IUPAC1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
SMILESCC(C)CCn1nnnc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN6/c1-14(2)7-8-24-17(19-20-21-24)13-22-9-11-23(12-10-22)16-5-3-15(18)4-6-16/h3-6,14H,7-13H2,1-2H3
InChIKeyQBMSVMXOEPTPOM-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.18
Rot. Bonds6

About 1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine

1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 1448649) has the molecular formula C17H25FN6 and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
PubChem CID1448649
Molecular FormulaC17H25FN6
Molecular Weight332.43 g/mol
Exact Mass332.21
IUPAC Name1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
SMILESCC(C)CCn1nnnc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN6/c1-14(2)7-8-24-17(19-20-21-24)13-22-9-11-23(12-10-22)16-5-3-15(18)4-6-16/h3-6,14H,7-13H2,1-2H3
InChIKeyQBMSVMXOEPTPOM-UHFFFAOYSA-N
XLogP2.18
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine (CID 1448649) is 1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine is CC(C)CCn1nnnc1CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is QBMSVMXOEPTPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN6/c1-14(2)7-8-24-17(19-20-21-24)13-22-9-11-23(12-10-22)16-5-3-15(18)4-6-16/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine?
1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 332.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 1448649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).