2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine

C13H17N5 — CID 90688343

IUPAC2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine
SMILESCc1ccccc1C1(C2CCCCN2)N=NN=N1
InChIInChI=1S/C13H17N5/c1-10-6-2-3-7-11(10)13(15-17-18-16-13)12-8-4-5-9-14-12/h2-3,6-7,12,14H,4-5,8-9H2,1H3
InChIKeyXJOAERHFIOEXCH-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.12
Rot. Bonds2

About 2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine

2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine (PubChem CID 90688343) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine.

Molecular Properties

Compound Name2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine
PubChem CID90688343
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine
SMILESCc1ccccc1C1(C2CCCCN2)N=NN=N1
InChIInChI=1S/C13H17N5/c1-10-6-2-3-7-11(10)13(15-17-18-16-13)12-8-4-5-9-14-12/h2-3,6-7,12,14H,4-5,8-9H2,1H3
InChIKeyXJOAERHFIOEXCH-UHFFFAOYSA-N
XLogP3.12
TPSA61.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-phenyl-1,3-dioxan-2-yl)piperidine
CID 125497415
2-(1-methyl-2,3-dihydroinden-1-yl)pyrrolidine
CID 122502681
4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
CID 71741959
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
(1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol
CID 92855941
2,3-dimethyl-3-(2-methylphenyl)pyrrolidine
CID 62353384
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine
CID 84724881
2-(3-methyl-2-pyridinyl)azepane
CID 81148387
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol
CID 10878971
2-cyclohexyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 60794929

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine?
The IUPAC name of 2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine (CID 90688343) is 2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine.
What is the SMILES notation for 2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine?
The canonical SMILES for 2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine is Cc1ccccc1C1(C2CCCCN2)N=NN=N1.
What is the InChIKey of 2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine?
The InChIKey is XJOAERHFIOEXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-10-6-2-3-7-11(10)13(15-17-18-16-13)12-8-4-5-9-14-12/h2-3,6-7,12,14H,4-5,8-9H2,1H3.
What are the key properties of 2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine?
2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine has a molecular weight of 243.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine is sourced from PubChem (CID 90688343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).