1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C16H21F3N6O — CID 646624

IUPAC1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOCCn1nnnc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H21F3N6O/c1-26-10-9-25-15(20-21-22-25)12-23-5-7-24(8-6-23)14-4-2-3-13(11-14)16(17,18)19/h2-4,11H,5-10,12H2,1H3
InChIKeyDLYXVLYXKFAUEI-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.66
Rot. Bonds6

About 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 646624) has the molecular formula C16H21F3N6O and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID646624
Molecular FormulaC16H21F3N6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOCCn1nnnc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H21F3N6O/c1-26-10-9-25-15(20-21-22-25)12-23-5-7-24(8-6-23)14-4-2-3-13(11-14)16(17,18)19/h2-4,11H,5-10,12H2,1H3
InChIKeyDLYXVLYXKFAUEI-UHFFFAOYSA-N
XLogP1.66
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 646624) is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is COCCn1nnnc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is DLYXVLYXKFAUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6O/c1-26-10-9-25-15(20-21-22-25)12-23-5-7-24(8-6-23)14-4-2-3-13(11-14)16(17,18)19/h2-4,11H,5-10,12H2,1H3.
What are the key properties of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 370.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 646624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).