2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine

C9H14F3N5 — CID 107054763

IUPAC2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine
SMILESCn1nnc(CC2CCCC(C(F)(F)F)N2)n1
InChIInChI=1S/C9H14F3N5/c1-17-15-8(14-16-17)5-6-3-2-4-7(13-6)9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyFKGDCHJMHBCLCS-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.83
Rot. Bonds2

About 2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine

2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine (PubChem CID 107054763) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine
PubChem CID107054763
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine
SMILESCn1nnc(CC2CCCC(C(F)(F)F)N2)n1
InChIInChI=1S/C9H14F3N5/c1-17-15-8(14-16-17)5-6-3-2-4-7(13-6)9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyFKGDCHJMHBCLCS-UHFFFAOYSA-N
XLogP0.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine (CID 107054763) is 2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine is Cn1nnc(CC2CCCC(C(F)(F)F)N2)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine?
The InChIKey is FKGDCHJMHBCLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c1-17-15-8(14-16-17)5-6-3-2-4-7(13-6)9(10,11)12/h6-7,13H,2-5H2,1H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine?
2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine has a molecular weight of 249.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methyl]-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 107054763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).