1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium

C18H36N6+2 — CID 7383932

IUPAC1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium
SMILESCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CC[NH+](C2CCCCC2)CC1
InChIInChI=1S/C18H34N6/c1-5-16(17-19-20-21-24(17)18(2,3)4)23-13-11-22(12-14-23)15-9-7-6-8-10-15/h15-16H,5-14H2,1-4H3/p+2/t16-/m1/s1
InChIKeyDXJLSGSUVOEULF-MRXNPFEDSA-P
MW336.53 g/mol
LogP-0.00
Rot. Bonds4

About 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium

1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium (PubChem CID 7383932) has the molecular formula C18H36N6+2 and a molecular weight of 336.53 g/mol. Its IUPAC name is 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium
PubChem CID7383932
Molecular FormulaC18H36N6+2
Molecular Weight336.53 g/mol
Exact Mass336.30
IUPAC Name1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium
SMILESCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CC[NH+](C2CCCCC2)CC1
InChIInChI=1S/C18H34N6/c1-5-16(17-19-20-21-24(17)18(2,3)4)23-13-11-22(12-14-23)15-9-7-6-8-10-15/h15-16H,5-14H2,1-4H3/p+2/t16-/m1/s1
InChIKeyDXJLSGSUVOEULF-MRXNPFEDSA-P
XLogP-0.00
TPSA52.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.53
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium
CID 7224059
1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7391790
1-cyclohexyl-4-[(1R)-1-(1-cyclopentyltetrazol-5-yl)butyl]piperazine-1,4-diium
CID 7383721
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium
CID 7383587
1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium
CID 6951783
1-cyclopentyl-4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine-1,4-diium
CID 7391340
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383943
1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium
CID 7391463
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 7383939
1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
CID 7391894
[4-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 7383929
1-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidin-1-ium-4-carboxamide
CID 6986026

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium?
The IUPAC name of 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium (CID 7383932) is 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium.
What is the SMILES notation for 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium?
The canonical SMILES for 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium is CC[C@H](c1nnnn1C(C)(C)C)[NH+]1CC[NH+](C2CCCCC2)CC1.
What is the InChIKey of 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium?
The InChIKey is DXJLSGSUVOEULF-MRXNPFEDSA-P. The full InChI is InChI=1S/C18H34N6/c1-5-16(17-19-20-21-24(17)18(2,3)4)23-13-11-22(12-14-23)15-9-7-6-8-10-15/h15-16H,5-14H2,1-4H3/p+2/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium?
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium has a molecular weight of 336.53 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium is sourced from PubChem (CID 7383932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).