1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine

C14H16ClN5 — CID 20981209

IUPAC1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine
SMILESC=C(c1nnnn1-c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C14H16ClN5/c1-11(19-9-3-2-4-10-19)14-16-17-18-20(14)13-7-5-12(15)6-8-13/h5-8H,1-4,9-10H2
InChIKeyOTKWHBYWYQKGRJ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.77
Rot. Bonds3

About 1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine

1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine (PubChem CID 20981209) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine.

Molecular Properties

Compound Name1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine
PubChem CID20981209
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine
SMILESC=C(c1nnnn1-c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C14H16ClN5/c1-11(19-9-3-2-4-10-19)14-16-17-18-20(14)13-7-5-12(15)6-8-13/h5-8H,1-4,9-10H2
InChIKeyOTKWHBYWYQKGRJ-UHFFFAOYSA-N
XLogP2.77
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine?
The IUPAC name of 1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine (CID 20981209) is 1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine.
What is the SMILES notation for 1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine?
The canonical SMILES for 1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine is C=C(c1nnnn1-c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine?
The InChIKey is OTKWHBYWYQKGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c1-11(19-9-3-2-4-10-19)14-16-17-18-20(14)13-7-5-12(15)6-8-13/h5-8H,1-4,9-10H2.
What are the key properties of 1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine?
1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine has a molecular weight of 289.77 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]piperidine is sourced from PubChem (CID 20981209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).