1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine

C13H20N6 — CID 118047878

IUPAC1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine
SMILESC1=NNNN1c1cccc(CCN2CCNCC2)c1
InChIInChI=1S/C13H20N6/c1-2-12(4-7-18-8-5-14-6-9-18)10-13(3-1)19-11-15-16-17-19/h1-3,10-11,14,16-17H,4-9H2
InChIKeyNZZNBTATDMRYOF-UHFFFAOYSA-N
MW260.34 g/mol
LogP-0.09
Rot. Bonds4

About 1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine

1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine (PubChem CID 118047878) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine
PubChem CID118047878
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine
SMILESC1=NNNN1c1cccc(CCN2CCNCC2)c1
InChIInChI=1S/C13H20N6/c1-2-12(4-7-18-8-5-14-6-9-18)10-13(3-1)19-11-15-16-17-19/h1-3,10-11,14,16-17H,4-9H2
InChIKeyNZZNBTATDMRYOF-UHFFFAOYSA-N
XLogP-0.09
TPSA54.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine (CID 118047878) is 1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine is C1=NNNN1c1cccc(CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine?
The InChIKey is NZZNBTATDMRYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-2-12(4-7-18-8-5-14-6-9-18)10-13(3-1)19-11-15-16-17-19/h1-3,10-11,14,16-17H,4-9H2.
What are the key properties of 1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine?
1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine has a molecular weight of 260.34 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine is sourced from PubChem (CID 118047878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).