1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine

C19H30N6 — CID 3208847

IUPAC1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine
SMILESCCCC(c1nnnn1C(C)(C)C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N6/c1-5-9-17(18-20-21-22-25(18)19(2,3)4)24-14-12-23(13-15-24)16-10-7-6-8-11-16/h6-8,10-11,17H,5,9,12-15H2,1-4H3
InChIKeyZQXYRVNJKKPTAM-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.09
Rot. Bonds5

About 1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine

1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine (PubChem CID 3208847) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine
PubChem CID3208847
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine
SMILESCCCC(c1nnnn1C(C)(C)C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N6/c1-5-9-17(18-20-21-22-25(18)19(2,3)4)24-14-12-23(13-15-24)16-10-7-6-8-11-16/h6-8,10-11,17H,5,9,12-15H2,1-4H3
InChIKeyZQXYRVNJKKPTAM-UHFFFAOYSA-N
XLogP3.09
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.09
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)butyl]-4-phenylpiperazine?
The IUPAC name of 1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine (CID 3208847) is 1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine is CCCC(c1nnnn1C(C)(C)C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine?
The InChIKey is ZQXYRVNJKKPTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-5-9-17(18-20-21-22-25(18)19(2,3)4)24-14-12-23(13-15-24)16-10-7-6-8-11-16/h6-8,10-11,17H,5,9,12-15H2,1-4H3.
What are the key properties of 1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine?
1-[1-(1-tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine has a molecular weight of 342.49 g/mol, XLogP of 3.09, 5 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)butyl]-4-phenylpiperazine is sourced from PubChem (CID 3208847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).