1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine

C15H21N5O — CID 3074470

IUPAC1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine
SMILESCOc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C15H21N5O/c1-21-14-7-5-13(6-8-14)15-16-18-20(17-15)12-11-19-9-3-2-4-10-19/h5-8H,2-4,9-12H2,1H3
InChIKeyQTJKMNIYIBFHDB-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.83
Rot. Bonds5

About 1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine

1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine (PubChem CID 3074470) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine
PubChem CID3074470
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine
SMILESCOc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C15H21N5O/c1-21-14-7-5-13(6-8-14)15-16-18-20(17-15)12-11-19-9-3-2-4-10-19/h5-8H,2-4,9-12H2,1H3
InChIKeyQTJKMNIYIBFHDB-UHFFFAOYSA-N
XLogP1.83
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine (CID 3074470) is 1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine is COc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1.
What is the InChIKey of 1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine?
The InChIKey is QTJKMNIYIBFHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-21-14-7-5-13(6-8-14)15-16-18-20(17-15)12-11-19-9-3-2-4-10-19/h5-8H,2-4,9-12H2,1H3.
What are the key properties of 1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine?
1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine has a molecular weight of 287.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine is sourced from PubChem (CID 3074470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).