4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine

C13H15F2N5 — CID 57268094

IUPAC4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine
SMILESFc1cccc(CC2CCNC(c3nn[nH]n3)C2)c1F
InChIInChI=1S/C13H15F2N5/c14-10-3-1-2-9(12(10)15)6-8-4-5-16-11(7-8)13-17-19-20-18-13/h1-3,8,11,16H,4-7H2,(H,17,18,19,20)
InChIKeyWWBLRNXHAXYDOW-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.76
Rot. Bonds3

About 4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine

4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine (PubChem CID 57268094) has the molecular formula C13H15F2N5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine
PubChem CID57268094
Molecular FormulaC13H15F2N5
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC Name4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine
SMILESFc1cccc(CC2CCNC(c3nn[nH]n3)C2)c1F
InChIInChI=1S/C13H15F2N5/c14-10-3-1-2-9(12(10)15)6-8-4-5-16-11(7-8)13-17-19-20-18-13/h1-3,8,11,16H,4-7H2,(H,17,18,19,20)
InChIKeyWWBLRNXHAXYDOW-UHFFFAOYSA-N
XLogP1.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine?
The IUPAC name of 4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine (CID 57268094) is 4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine?
The canonical SMILES for 4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine is Fc1cccc(CC2CCNC(c3nn[nH]n3)C2)c1F.
What is the InChIKey of 4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine?
The InChIKey is WWBLRNXHAXYDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5/c14-10-3-1-2-9(12(10)15)6-8-4-5-16-11(7-8)13-17-19-20-18-13/h1-3,8,11,16H,4-7H2,(H,17,18,19,20).
What are the key properties of 4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine?
4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine has a molecular weight of 279.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine is sourced from PubChem (CID 57268094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).