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

C20H37ClN6 — CID 6602651

IUPAC1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine;hydrochloride
SMILESCCCC(c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C20H36N6.ClH/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;1H
InChIKeyGRFZRRHTLYAEGR-UHFFFAOYSA-N
MW397.01 g/mol
LogP4.00
Rot. Bonds6

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

1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine;hydrochloride (PubChem CID 6602651) has the molecular formula C20H37ClN6 and a molecular weight of 397.01 g/mol. Its IUPAC name is 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine;hydrochloride
PubChem CID6602651
Molecular FormulaC20H37ClN6
Molecular Weight397.01 g/mol
Exact Mass396.28
IUPAC Name1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine;hydrochloride
SMILESCCCC(c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C20H36N6.ClH/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;1H
InChIKeyGRFZRRHTLYAEGR-UHFFFAOYSA-N
XLogP4.00
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.01
LogP ≤ 54.00
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;hydrochloride?
The IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine;hydrochloride (CID 6602651) is 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine;hydrochloride.
What is the SMILES notation for 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine;hydrochloride?
The canonical SMILES for 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine;hydrochloride is CCCC(c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1.Cl.
What is the InChIKey of 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine;hydrochloride?
The InChIKey is GRFZRRHTLYAEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6.ClH/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;1H.
What are the key properties of 1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine;hydrochloride?
1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine;hydrochloride has a molecular weight of 397.01 g/mol, XLogP of 4.00, 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;hydrochloride is sourced from PubChem (CID 6602651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).