1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine

C17H32N6 — CID 655057

IUPAC1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine
SMILESCCC(c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H32N6/c1-5-15(16-18-19-20-23(16)17(2,3)4)22-12-10-21(11-13-22)14-8-6-7-9-14/h14-15H,5-13H2,1-4H3
InChIKeyGMLUXTKWFLFVSC-UHFFFAOYSA-N
MW320.49 g/mol
LogP2.44
Rot. Bonds4

About 1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine

1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine (PubChem CID 655057) has the molecular formula C17H32N6 and a molecular weight of 320.49 g/mol. Its IUPAC name is 1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine
PubChem CID655057
Molecular FormulaC17H32N6
Molecular Weight320.49 g/mol
Exact Mass320.27
IUPAC Name1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine
SMILESCCC(c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H32N6/c1-5-15(16-18-19-20-23(16)17(2,3)4)22-12-10-21(11-13-22)14-8-6-7-9-14/h14-15H,5-13H2,1-4H3
InChIKeyGMLUXTKWFLFVSC-UHFFFAOYSA-N
XLogP2.44
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine (CID 655057) is 1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine is CCC(c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine?
The InChIKey is GMLUXTKWFLFVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6/c1-5-15(16-18-19-20-23(16)17(2,3)4)22-12-10-21(11-13-22)14-8-6-7-9-14/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine?
1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine has a molecular weight of 320.49 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 655057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).