(2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C13H14FN5O — CID 110196482

IUPAC(2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C13H14FN5O/c14-11-6-2-1-5-10(11)13(20)19-7-3-4-9(8-19)12-15-17-18-16-12/h1-2,5-6,9H,3-4,7-8H2,(H,15,16,17,18)
InChIKeyXJXHRCFPGQDSRP-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.36
Rot. Bonds2

About (2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

(2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196482) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196482
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name(2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C13H14FN5O/c14-11-6-2-1-5-10(11)13(20)19-7-3-4-9(8-19)12-15-17-18-16-12/h1-2,5-6,9H,3-4,7-8H2,(H,15,16,17,18)
InChIKeyXJXHRCFPGQDSRP-UHFFFAOYSA-N
XLogP1.36
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2,3,3,4,4,4-Heptafluorobutyl)-4-[(2H-tetrazol-5-yl)methyl]benzamide
CID 44384935
N-(2,2,3,3,4,4,4-Heptafluorobutyl)-3-[(2H-tetrazol-5-yl)methyl]benzamide
CID 44385158
(4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 71911473
2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
CID 71920443
1-(2,5-Difluorobenzoyl)-3-(1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196477
1-Benzoyl-3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196497
1-(4-Fluorobenzoyl)-3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196504
1-(2-Fluorobenzoyl)-3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196505
1-(3-Fluorobenzoyl)-3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196506
N-[(1S)-4-[(1-amino-2-fluoroethylidene)amino]-1-(2H-tetrazol-5-yl)butyl]benzamide
CID 118732059
3-[2-(2-methylphenyl)ethyl]-1-[2-(1H-tetrazol-5-yl)benzoyl]piperidine
CID 56868072
1-benzoyl-3-(1H-1,2,3,4-tetrazol-5-yl)piperidine
CID 110196473

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 110196482) is (2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of (2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is XJXHRCFPGQDSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c14-11-6-2-1-5-10(11)13(20)19-7-3-4-9(8-19)12-15-17-18-16-12/h1-2,5-6,9H,3-4,7-8H2,(H,15,16,17,18).
What are the key properties of (2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
(2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 275.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).