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

C20H29F3N6O — CID 3209232

IUPAC1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCCCC(c1nnnn1CCOC)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H29F3N6O/c1-3-4-8-18(19-24-25-26-29(19)13-14-30-2)28-11-9-27(10-12-28)17-7-5-6-16(15-17)20(21,22)23/h5-7,15,18H,3-4,8-14H2,1-2H3
InChIKeyLAKKZYVAMGERNN-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.39
Rot. Bonds9

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

1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 3209232) has the molecular formula C20H29F3N6O and a molecular weight of 426.49 g/mol. Its IUPAC name is 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID3209232
Molecular FormulaC20H29F3N6O
Molecular Weight426.49 g/mol
Exact Mass426.24
IUPAC Name1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCCCC(c1nnnn1CCOC)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H29F3N6O/c1-3-4-8-18(19-24-25-26-29(19)13-14-30-2)28-11-9-27(10-12-28)17-7-5-6-16(15-17)20(21,22)23/h5-7,15,18H,3-4,8-14H2,1-2H3
InChIKeyLAKKZYVAMGERNN-UHFFFAOYSA-N
XLogP3.39
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 3209232) is 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine is CCCCC(c1nnnn1CCOC)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is LAKKZYVAMGERNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N6O/c1-3-4-8-18(19-24-25-26-29(19)13-14-30-2)28-11-9-27(10-12-28)17-7-5-6-16(15-17)20(21,22)23/h5-7,15,18H,3-4,8-14H2,1-2H3.
What are the key properties of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 426.49 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 3209232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).