4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine

C12H13F2N5 — CID 116844685

IUPAC4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine
SMILESFc1ccc(F)c(C2(c3nn[nH]n3)CCNCC2)c1
InChIInChI=1S/C12H13F2N5/c13-8-1-2-10(14)9(7-8)12(3-5-15-6-4-12)11-16-18-19-17-11/h1-2,7,15H,3-6H2,(H,16,17,18,19)
InChIKeyQYQJJSKPTCLHPQ-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.15
Rot. Bonds2

About 4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine

4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine (PubChem CID 116844685) has the molecular formula C12H13F2N5 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine
PubChem CID116844685
Molecular FormulaC12H13F2N5
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine
SMILESFc1ccc(F)c(C2(c3nn[nH]n3)CCNCC2)c1
InChIInChI=1S/C12H13F2N5/c13-8-1-2-10(14)9(7-8)12(3-5-15-6-4-12)11-16-18-19-17-11/h1-2,7,15H,3-6H2,(H,16,17,18,19)
InChIKeyQYQJJSKPTCLHPQ-UHFFFAOYSA-N
XLogP1.15
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine
CID 116844690
4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine
CID 116844704
4-(2,4-difluorophenyl)piperidin-4-ol
CID 62801689
4-(2,4-difluorophenyl)-4-fluoropiperidine
CID 71239192
4-propan-2-yl-4-(2H-tetrazol-5-yl)piperidine
CID 116844668
5-(1-phenylcyclopentyl)-2H-tetrazole
CID 63079747
5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 83820003
6-fluorospiro[1,3-dihydroindole-2,4'-piperidine]
CID 105459074
4-(5-fluoro-2-methylphenyl)azepan-4-ol
CID 103982874
4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid
CID 55178571
5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]
CID 57459631
4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride
CID 18623234

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine?
The IUPAC name of 4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine (CID 116844685) is 4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine?
The canonical SMILES for 4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine is Fc1ccc(F)c(C2(c3nn[nH]n3)CCNCC2)c1.
What is the InChIKey of 4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine?
The InChIKey is QYQJJSKPTCLHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5/c13-8-1-2-10(14)9(7-8)12(3-5-15-6-4-12)11-16-18-19-17-11/h1-2,7,15H,3-6H2,(H,16,17,18,19).
What are the key properties of 4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine?
4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine has a molecular weight of 265.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-4-(2H-tetrazol-5-yl)piperidine is sourced from PubChem (CID 116844685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).