1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine

C13H22N6 — CID 82365280

IUPAC1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESC1=C(c2nn[nH]n2)CN(CCN2CCCCC2)CC1
InChIInChI=1S/C13H22N6/c1-2-6-18(7-3-1)9-10-19-8-4-5-12(11-19)13-14-16-17-15-13/h5H,1-4,6-11H2,(H,14,15,16,17)
InChIKeyXUZBDHQZZXRWJL-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.77
Rot. Bonds4

About 1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine

1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 82365280) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID82365280
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESC1=C(c2nn[nH]n2)CN(CCN2CCCCC2)CC1
InChIInChI=1S/C13H22N6/c1-2-6-18(7-3-1)9-10-19-8-4-5-12(11-19)13-14-16-17-15-13/h5H,1-4,6-11H2,(H,14,15,16,17)
InChIKeyXUZBDHQZZXRWJL-UHFFFAOYSA-N
XLogP0.77
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 82365280) is 1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is C1=C(c2nn[nH]n2)CN(CCN2CCCCC2)CC1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is XUZBDHQZZXRWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-2-6-18(7-3-1)9-10-19-8-4-5-12(11-19)13-14-16-17-15-13/h5H,1-4,6-11H2,(H,14,15,16,17).
What are the key properties of 1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 262.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 82365280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).