1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine

C20H36N6 — CID 646553

IUPAC1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine
SMILESCCCC(c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H36N6/c1-2-8-19(20-21-22-23-26(20)18-11-4-3-5-12-18)25-15-13-24(14-16-25)17-9-6-7-10-17/h17-19H,2-16H2,1H3
InChIKeyNOMZDXQKBZKFOS-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.58
Rot. Bonds6

About 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine

1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine (PubChem CID 646553) has the molecular formula C20H36N6 and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine
PubChem CID646553
Molecular FormulaC20H36N6
Molecular Weight360.55 g/mol
Exact Mass360.30
IUPAC Name1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine
SMILESCCCC(c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H36N6/c1-2-8-19(20-21-22-23-26(20)18-11-4-3-5-12-18)25-15-13-24(14-16-25)17-9-6-7-10-17/h17-19H,2-16H2,1H3
InChIKeyNOMZDXQKBZKFOS-UHFFFAOYSA-N
XLogP3.58
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine (CID 646553) is 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine is CCCC(c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine?
The InChIKey is NOMZDXQKBZKFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6/c1-2-8-19(20-21-22-23-26(20)18-11-4-3-5-12-18)25-15-13-24(14-16-25)17-9-6-7-10-17/h17-19H,2-16H2,1H3.
What are the key properties of 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine?
1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine has a molecular weight of 360.55 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 646553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).