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

C18H27FN6O — CID 3209217

IUPAC1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1CCOC)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H27FN6O/c1-3-6-17(18-20-21-22-25(18)13-14-26-2)24-11-9-23(10-12-24)16-8-5-4-7-15(16)19/h4-5,7-8,17H,3,6,9-14H2,1-2H3
InChIKeyNBNKFTXBYRAVDY-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.12
Rot. Bonds8

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

1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 3209217) has the molecular formula C18H27FN6O and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID3209217
Molecular FormulaC18H27FN6O
Molecular Weight362.45 g/mol
Exact Mass362.22
IUPAC Name1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1CCOC)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H27FN6O/c1-3-6-17(18-20-21-22-25(18)13-14-26-2)24-11-9-23(10-12-24)16-8-5-4-7-15(16)19/h4-5,7-8,17H,3,6,9-14H2,1-2H3
InChIKeyNBNKFTXBYRAVDY-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine (CID 3209217) is 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine is CCCC(c1nnnn1CCOC)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is NBNKFTXBYRAVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN6O/c1-3-6-17(18-20-21-22-25(18)13-14-26-2)24-11-9-23(10-12-24)16-8-5-4-7-15(16)19/h4-5,7-8,17H,3,6,9-14H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine?
1-(2-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-(2-fluorophenyl)-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 3209217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).