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

C16H23FN6O — CID 3193617

IUPAC1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]piperazine
SMILESCOCCn1nnnc1C(C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN6O/c1-13(16-18-19-20-23(16)11-12-24-2)21-7-9-22(10-8-21)15-6-4-3-5-14(15)17/h3-6,13H,7-12H2,1-2H3
InChIKeyHWLRCHPKHGVLFS-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.34
Rot. Bonds6

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

1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]piperazine (PubChem CID 3193617) has the molecular formula C16H23FN6O and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]piperazine
PubChem CID3193617
Molecular FormulaC16H23FN6O
Molecular Weight334.40 g/mol
Exact Mass334.19
IUPAC Name1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]piperazine
SMILESCOCCn1nnnc1C(C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN6O/c1-13(16-18-19-20-23(16)11-12-24-2)21-7-9-22(10-8-21)15-6-4-3-5-14(15)17/h3-6,13H,7-12H2,1-2H3
InChIKeyHWLRCHPKHGVLFS-UHFFFAOYSA-N
XLogP1.34
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.34
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]ethyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]piperazine (CID 3193617) is 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]piperazine is COCCn1nnnc1C(C)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]piperazine?
The InChIKey is HWLRCHPKHGVLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6O/c1-13(16-18-19-20-23(16)11-12-24-2)21-7-9-22(10-8-21)15-6-4-3-5-14(15)17/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]piperazine?
1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]ethyl]piperazine has a molecular weight of 334.40 g/mol, XLogP of 1.34, 6 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]ethyl]piperazine is sourced from PubChem (CID 3193617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).