1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine

C14H28N6 — CID 23941642

IUPAC1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine
SMILESCCCCC(c1nnnn1C(C)C)N1CCN(C)CC1
InChIInChI=1S/C14H28N6/c1-5-6-7-13(19-10-8-18(4)9-11-19)14-15-16-17-20(14)12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyCUASGTQAIXFVAK-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.73
Rot. Bonds6

About 1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine

1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine (PubChem CID 23941642) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine
PubChem CID23941642
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine
SMILESCCCCC(c1nnnn1C(C)C)N1CCN(C)CC1
InChIInChI=1S/C14H28N6/c1-5-6-7-13(19-10-8-18(4)9-11-19)14-15-16-17-20(14)12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyCUASGTQAIXFVAK-UHFFFAOYSA-N
XLogP1.73
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine?
The IUPAC name of 1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine (CID 23941642) is 1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine?
The canonical SMILES for 1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine is CCCCC(c1nnnn1C(C)C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine?
The InChIKey is CUASGTQAIXFVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-5-6-7-13(19-10-8-18(4)9-11-19)14-15-16-17-20(14)12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine?
1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine has a molecular weight of 280.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazine is sourced from PubChem (CID 23941642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).