1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine

C25H27N7 — CID 644979

IUPAC1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine
SMILESc1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N7/c1-3-8-21(9-4-1)13-15-32-25(27-28-29-32)24(22-10-7-14-26-20-22)31-18-16-30(17-19-31)23-11-5-2-6-12-23/h1-12,14,20,24H,13,15-19H2
InChIKeyOXXMYGBQTYQECH-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.22
Rot. Bonds7

About 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine

1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine (PubChem CID 644979) has the molecular formula C25H27N7 and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine
PubChem CID644979
Molecular FormulaC25H27N7
Molecular Weight425.54 g/mol
Exact Mass425.23
IUPAC Name1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine
SMILESc1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N7/c1-3-8-21(9-4-1)13-15-32-25(27-28-29-32)24(22-10-7-14-26-20-22)31-18-16-30(17-19-31)23-11-5-2-6-12-23/h1-12,14,20,24H,13,15-19H2
InChIKeyOXXMYGBQTYQECH-UHFFFAOYSA-N
XLogP3.22
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine?
The IUPAC name of 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine (CID 644979) is 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine?
The canonical SMILES for 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine is c1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine?
The InChIKey is OXXMYGBQTYQECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7/c1-3-8-21(9-4-1)13-15-32-25(27-28-29-32)24(22-10-7-14-26-20-22)31-18-16-30(17-19-31)23-11-5-2-6-12-23/h1-12,14,20,24H,13,15-19H2.
What are the key properties of 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine?
1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine has a molecular weight of 425.54 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]piperazine is sourced from PubChem (CID 644979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).