1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine

C21H38N6 — CID 656327

IUPAC1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine
SMILESCCCCC(c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H38N6/c1-2-3-13-20(21-22-23-24-27(21)19-11-7-8-12-19)26-16-14-25(15-17-26)18-9-5-4-6-10-18/h18-20H,2-17H2,1H3
InChIKeyRDWKFJIHDGZGEQ-UHFFFAOYSA-N
MW374.58 g/mol
LogP3.97
Rot. Bonds7

About 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine

1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine (PubChem CID 656327) has the molecular formula C21H38N6 and a molecular weight of 374.58 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine
PubChem CID656327
Molecular FormulaC21H38N6
Molecular Weight374.58 g/mol
Exact Mass374.32
IUPAC Name1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine
SMILESCCCCC(c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H38N6/c1-2-3-13-20(21-22-23-24-27(21)19-11-7-8-12-19)26-16-14-25(15-17-26)18-9-5-4-6-10-18/h18-20H,2-17H2,1H3
InChIKeyRDWKFJIHDGZGEQ-UHFFFAOYSA-N
XLogP3.97
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine (CID 656327) is 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine is CCCCC(c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine?
The InChIKey is RDWKFJIHDGZGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6/c1-2-3-13-20(21-22-23-24-27(21)19-11-7-8-12-19)26-16-14-25(15-17-26)18-9-5-4-6-10-18/h18-20H,2-17H2,1H3.
What are the key properties of 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine?
1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine has a molecular weight of 374.58 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-(1-cyclopentyltetrazol-5-yl)pentyl]piperazine is sourced from PubChem (CID 656327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).