1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine

C17H25FN6O — CID 3209204

IUPAC1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine
SMILESCCC(c1nnnn1CCOC)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H25FN6O/c1-3-15(17-19-20-21-24(17)12-13-25-2)22-8-10-23(11-9-22)16-7-5-4-6-14(16)18/h4-7,15H,3,8-13H2,1-2H3
InChIKeySYLFZIAQPQAENN-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.73
Rot. Bonds7

About 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine

1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine (PubChem CID 3209204) has the molecular formula C17H25FN6O and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine
PubChem CID3209204
Molecular FormulaC17H25FN6O
Molecular Weight348.43 g/mol
Exact Mass348.21
IUPAC Name1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine
SMILESCCC(c1nnnn1CCOC)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H25FN6O/c1-3-15(17-19-20-21-24(17)12-13-25-2)22-8-10-23(11-9-22)16-7-5-4-6-14(16)18/h4-7,15H,3,8-13H2,1-2H3
InChIKeySYLFZIAQPQAENN-UHFFFAOYSA-N
XLogP1.73
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 646624
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-phenyl-piperazine
CID 647993
4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-pyrrolidin-1-yl-phenyl)-methyl]-morpholine
CID 648818
1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-4-phenyl-piperazine
CID 653777
4-(5-Morpholin-4-ylmethyl-tetrazol-1-yl)-phenylamine
CID 3184571
1-[1-(1-Tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine
CID 3208847
1-[1-(1-Isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-phenyl-piperazine
CID 3209417
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-(2-fluoro-phenyl)-piperazine
CID 6602593

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine (CID 3209204) is 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine is CCC(c1nnnn1CCOC)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine?
The InChIKey is SYLFZIAQPQAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN6O/c1-3-15(17-19-20-21-24(17)12-13-25-2)22-8-10-23(11-9-22)16-7-5-4-6-14(16)18/h4-7,15H,3,8-13H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine?
1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine has a molecular weight of 348.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine is sourced from PubChem (CID 3209204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).