1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine

C22H34N6 — CID 647025

IUPAC1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H34N6/c1-2-8-21(27-17-15-26(16-18-27)20-11-6-7-12-20)22-23-24-25-28(22)14-13-19-9-4-3-5-10-19/h3-5,9-10,20-21H,2,6-8,11-18H2,1H3
InChIKeyBNXLMJUHMLQMMU-UHFFFAOYSA-N
MW382.56 g/mol
LogP3.32
Rot. Bonds8

About 1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine

1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 647025) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID647025
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Name1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H34N6/c1-2-8-21(27-17-15-26(16-18-27)20-11-6-7-12-20)22-23-24-25-28(22)14-13-19-9-4-3-5-10-19/h3-5,9-10,20-21H,2,6-8,11-18H2,1H3
InChIKeyBNXLMJUHMLQMMU-UHFFFAOYSA-N
XLogP3.32
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine (CID 647025) is 1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine is CCCC(c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is BNXLMJUHMLQMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6/c1-2-8-21(27-17-15-26(16-18-27)20-11-6-7-12-20)22-23-24-25-28(22)14-13-19-9-4-3-5-10-19/h3-5,9-10,20-21H,2,6-8,11-18H2,1H3.
What are the key properties of 1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine?
1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 382.56 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 647025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).