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

C20H38N6+2 — CID 7383587

IUPAC1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium
SMILESCCC[C@@H](c1nnnn1C1CCCCC1)[NH+]1CC[NH+](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/p+2/t19-/m0/s1
InChIKeyNOMZDXQKBZKFOS-IBGZPJMESA-P
MW362.57 g/mol
LogP0.75
Rot. Bonds6

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

1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium (PubChem CID 7383587) has the molecular formula C20H38N6+2 and a molecular weight of 362.57 g/mol. Its IUPAC name is 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium
PubChem CID7383587
Molecular FormulaC20H38N6+2
Molecular Weight362.57 g/mol
Exact Mass362.31
IUPAC Name1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium
SMILESCCC[C@@H](c1nnnn1C1CCCCC1)[NH+]1CC[NH+](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/p+2/t19-/m0/s1
InChIKeyNOMZDXQKBZKFOS-IBGZPJMESA-P
XLogP0.75
TPSA52.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium with MolForge

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Related Compounds

1-cyclohexyl-4-[(1R)-1-(1-cyclopentyltetrazol-5-yl)butyl]piperazine-1,4-diium
CID 7383721
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium
CID 7224059
1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium
CID 7391463
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383579
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium
CID 7383932
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 6985994
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-nitrophenyl)piperazin-1-ium
CID 7383565
1-(1-cyclohexyltetrazol-5-yl)butan-1-ol
CID 121220708
5-(1-chlorobutyl)-1-cyclohexyltetrazole
CID 89395853
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 7383860
1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
CID 7391894
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7383880

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium?
The IUPAC name of 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium (CID 7383587) is 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium.
What is the SMILES notation for 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium?
The canonical SMILES for 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium is CCC[C@@H](c1nnnn1C1CCCCC1)[NH+]1CC[NH+](C2CCCC2)CC1.
What is the InChIKey of 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium?
The InChIKey is NOMZDXQKBZKFOS-IBGZPJMESA-P. 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/p+2/t19-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium?
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium has a molecular weight of 362.57 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium is sourced from PubChem (CID 7383587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).