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

C17H25FN6 — CID 3209786

IUPAC1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine
SMILESCCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C)CC1
InChIInChI=1S/C17H25FN6/c1-3-4-16(23-11-9-22(2)10-12-23)17-19-20-21-24(17)13-14-5-7-15(18)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyMGONWCDNHUCAHL-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.95
Rot. Bonds6

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

1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine (PubChem CID 3209786) has the molecular formula C17H25FN6 and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine
PubChem CID3209786
Molecular FormulaC17H25FN6
Molecular Weight332.43 g/mol
Exact Mass332.21
IUPAC Name1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine
SMILESCCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C)CC1
InChIInChI=1S/C17H25FN6/c1-3-4-16(23-11-9-22(2)10-12-23)17-19-20-21-24(17)13-14-5-7-15(18)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyMGONWCDNHUCAHL-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Tetrazole, 1-ethyl-5-phenyl-
CID 100270
1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperazin-1-yl)methyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158698
3-[(4-Benzyl-piperidin-1-yl)-(1-tert-butyl-1H-tetrazol-5-yl)-methyl]-benzonitrile
CID 645425
1-[(1-Benzyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine
CID 3193465
1-Benzhydryl-4-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-piperazine
CID 3209083
[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-diethyl-amine
CID 6603118
N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158813
1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159170
1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159172
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-methyl-1,4-diazepane
CID 49865047
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-ethyl-1,4-diazepane
CID 49865048

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine?
The IUPAC name of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine (CID 3209786) is 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine?
The canonical SMILES for 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine is CCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C)CC1.
What is the InChIKey of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine?
The InChIKey is MGONWCDNHUCAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN6/c1-3-4-16(23-11-9-22(2)10-12-23)17-19-20-21-24(17)13-14-5-7-15(18)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine?
1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-methylpiperazine has a molecular weight of 332.43 g/mol, XLogP of 1.95, 6 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]butyl]-4-methylpiperazine is sourced from PubChem (CID 3209786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).