1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine

C16H18F3N7 — CID 167874202

IUPAC1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine
SMILESFC(F)(F)C1(CC2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)N=N1
InChIInChI=1S/C16H18F3N7/c17-16(18,19)15(22-23-15)8-11-4-3-7-26(9-11)10-12-5-1-2-6-13(12)14-20-24-25-21-14/h1-2,5-6,11H,3-4,7-10H2,(H,20,21,24,25)
InChIKeyZFVWKMOVDQWERD-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.19
Rot. Bonds5

About 1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine

1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine (PubChem CID 167874202) has the molecular formula C16H18F3N7 and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine
PubChem CID167874202
Molecular FormulaC16H18F3N7
Molecular Weight365.36 g/mol
Exact Mass365.16
IUPAC Name1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine
SMILESFC(F)(F)C1(CC2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)N=N1
InChIInChI=1S/C16H18F3N7/c17-16(18,19)15(22-23-15)8-11-4-3-7-26(9-11)10-12-5-1-2-6-13(12)14-20-24-25-21-14/h1-2,5-6,11H,3-4,7-10H2,(H,20,21,24,25)
InChIKeyZFVWKMOVDQWERD-UHFFFAOYSA-N
XLogP3.19
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine?
The IUPAC name of 1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine (CID 167874202) is 1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine is FC(F)(F)C1(CC2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)N=N1.
What is the InChIKey of 1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine?
The InChIKey is ZFVWKMOVDQWERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7/c17-16(18,19)15(22-23-15)8-11-4-3-7-26(9-11)10-12-5-1-2-6-13(12)14-20-24-25-21-14/h1-2,5-6,11H,3-4,7-10H2,(H,20,21,24,25).
What are the key properties of 1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine?
1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine has a molecular weight of 365.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine is sourced from PubChem (CID 167874202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).