1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid

C15H16F3N5O2 — CID 119906596

IUPAC1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H16F3N5O2/c16-15(17,18)11-1-3-12(4-2-11)23-13(19-20-21-23)9-22-7-5-10(6-8-22)14(24)25/h1-4,10H,5-9H2,(H,24,25)
InChIKeyZMMCYOCKICXTGL-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.98
Rot. Bonds4

About 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid

1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 119906596) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid
PubChem CID119906596
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H16F3N5O2/c16-15(17,18)11-1-3-12(4-2-11)23-13(19-20-21-23)9-22-7-5-10(6-8-22)14(24)25/h1-4,10H,5-9H2,(H,24,25)
InChIKeyZMMCYOCKICXTGL-UHFFFAOYSA-N
XLogP1.98
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid (CID 119906596) is 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is ZMMCYOCKICXTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c16-15(17,18)11-1-3-12(4-2-11)23-13(19-20-21-23)9-22-7-5-10(6-8-22)14(24)25/h1-4,10H,5-9H2,(H,24,25).
What are the key properties of 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid?
1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 355.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119906596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).