1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine

C14H19N5 — CID 3131950

IUPAC1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine
SMILESCc1ccc(-n2nnnc2CN2CCCCC2)cc1
InChIInChI=1S/C14H19N5/c1-12-5-7-13(8-6-12)19-14(15-16-17-19)11-18-9-3-2-4-10-18/h5-8H,2-4,9-11H2,1H3
InChIKeyQKSZHSIGFRUBRU-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.96
Rot. Bonds3

About 1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine

1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine (PubChem CID 3131950) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine
PubChem CID3131950
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine
SMILESCc1ccc(-n2nnnc2CN2CCCCC2)cc1
InChIInChI=1S/C14H19N5/c1-12-5-7-13(8-6-12)19-14(15-16-17-19)11-18-9-3-2-4-10-18/h5-8H,2-4,9-11H2,1H3
InChIKeyQKSZHSIGFRUBRU-UHFFFAOYSA-N
XLogP1.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine?
The IUPAC name of 1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine (CID 3131950) is 1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine.
What is the SMILES notation for 1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine?
The canonical SMILES for 1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine is Cc1ccc(-n2nnnc2CN2CCCCC2)cc1.
What is the InChIKey of 1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine?
The InChIKey is QKSZHSIGFRUBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-12-5-7-13(8-6-12)19-14(15-16-17-19)11-18-9-3-2-4-10-18/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine?
1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine has a molecular weight of 257.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperidine is sourced from PubChem (CID 3131950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).