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

C18H27FN6O — CID 3209218

IUPAC1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1CCOC)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN6O/c1-3-4-17(18-20-21-22-25(18)13-14-26-2)24-11-9-23(10-12-24)16-7-5-15(19)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyWXNNXVJQPTXJFE-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.12
Rot. Bonds8

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

1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 3209218) has the molecular formula C18H27FN6O and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID3209218
Molecular FormulaC18H27FN6O
Molecular Weight362.45 g/mol
Exact Mass362.22
IUPAC Name1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1CCOC)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN6O/c1-3-4-17(18-20-21-22-25(18)13-14-26-2)24-11-9-23(10-12-24)16-7-5-15(19)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyWXNNXVJQPTXJFE-UHFFFAOYSA-N
XLogP2.12
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.12
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-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine (CID 3209218) is 1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine is CCCC(c1nnnn1CCOC)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is WXNNXVJQPTXJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN6O/c1-3-4-17(18-20-21-22-25(18)13-14-26-2)24-11-9-23(10-12-24)16-7-5-15(19)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 362.45 g/mol, XLogP of 2.12, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 3209218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).