1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine

C15H30N6 — CID 3209416

IUPAC1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine
SMILESCCN1CCN(C(CC(C)C)c2nnnn2C(C)C)CC1
InChIInChI=1S/C15H30N6/c1-6-19-7-9-20(10-8-19)14(11-12(2)3)15-16-17-18-21(15)13(4)5/h12-14H,6-11H2,1-5H3
InChIKeyFMDXDUHUBMRBHX-UHFFFAOYSA-N
MW294.45 g/mol
LogP1.98
Rot. Bonds6

About 1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine

1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine (PubChem CID 3209416) has the molecular formula C15H30N6 and a molecular weight of 294.45 g/mol. Its IUPAC name is 1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine
PubChem CID3209416
Molecular FormulaC15H30N6
Molecular Weight294.45 g/mol
Exact Mass294.25
IUPAC Name1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine
SMILESCCN1CCN(C(CC(C)C)c2nnnn2C(C)C)CC1
InChIInChI=1S/C15H30N6/c1-6-19-7-9-20(10-8-19)14(11-12(2)3)15-16-17-18-21(15)13(4)5/h12-14H,6-11H2,1-5H3
InChIKeyFMDXDUHUBMRBHX-UHFFFAOYSA-N
XLogP1.98
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine?
The IUPAC name of 1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine (CID 3209416) is 1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine?
The canonical SMILES for 1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine is CCN1CCN(C(CC(C)C)c2nnnn2C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine?
The InChIKey is FMDXDUHUBMRBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6/c1-6-19-7-9-20(10-8-19)14(11-12(2)3)15-16-17-18-21(15)13(4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine?
1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine has a molecular weight of 294.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazine is sourced from PubChem (CID 3209416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).