1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine

C17H32N6 — CID 3208703

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine
SMILESCCN1CCN(C(CC(C)C)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C17H32N6/c1-4-21-9-11-22(12-10-21)16(13-14(2)3)17-18-19-20-23(17)15-7-5-6-8-15/h14-16H,4-13H2,1-3H3
InChIKeyRIJBFTUMODQJQU-UHFFFAOYSA-N
MW320.49 g/mol
LogP2.51
Rot. Bonds6

About 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine

1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine (PubChem CID 3208703) has the molecular formula C17H32N6 and a molecular weight of 320.49 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine
PubChem CID3208703
Molecular FormulaC17H32N6
Molecular Weight320.49 g/mol
Exact Mass320.27
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine
SMILESCCN1CCN(C(CC(C)C)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C17H32N6/c1-4-21-9-11-22(12-10-21)16(13-14(2)3)17-18-19-20-23(17)15-7-5-6-8-15/h14-16H,4-13H2,1-3H3
InChIKeyRIJBFTUMODQJQU-UHFFFAOYSA-N
XLogP2.51
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine (CID 3208703) is 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine is CCN1CCN(C(CC(C)C)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine?
The InChIKey is RIJBFTUMODQJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6/c1-4-21-9-11-22(12-10-21)16(13-14(2)3)17-18-19-20-23(17)15-7-5-6-8-15/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine?
1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine has a molecular weight of 320.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-ethylpiperazine is sourced from PubChem (CID 3208703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).