1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium

C19H36N6O+2 — CID 7391790

IUPAC1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium
SMILESCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CC[NH+](C2CCCCC2)CC1
InChIInChI=1S/C19H34N6O/c1-2-18(19-20-21-22-25(19)15-17-9-6-14-26-17)24-12-10-23(11-13-24)16-7-4-3-5-8-16/h16-18H,2-15H2,1H3/p+2/t17-,18+/m0/s1
InChIKeySQQKYCZIDVAEJG-ZWKOTPCHSA-P
MW364.54 g/mol
LogP-0.58
Rot. Bonds6

About 1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium

1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium (PubChem CID 7391790) has the molecular formula C19H36N6O+2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium
PubChem CID7391790
Molecular FormulaC19H36N6O+2
Molecular Weight364.54 g/mol
Exact Mass364.29
IUPAC Name1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium
SMILESCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CC[NH+](C2CCCCC2)CC1
InChIInChI=1S/C19H34N6O/c1-2-18(19-20-21-22-25(19)15-17-9-6-14-26-17)24-12-10-23(11-13-24)16-7-4-3-5-8-16/h16-18H,2-15H2,1H3/p+2/t17-,18+/m0/s1
InChIKeySQQKYCZIDVAEJG-ZWKOTPCHSA-P
XLogP-0.58
TPSA61.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
CID 7391894
1-methyl-4-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7391796
1-cyclohexyl-4-[(S)-(2-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7396111
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium
CID 7224059
1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
CID 7391874
1-(4-methoxyphenyl)-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazin-4-ium
CID 7388741
1-(2-methoxyphenyl)-4-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazin-4-ium
CID 7388733
1-(2-methoxyphenyl)-4-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazin-4-ium
CID 7388727
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium
CID 7383932
1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine
CID 103085687
5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369
1-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]-4-phenylpiperazin-1-ium
CID 7388793

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium?
The IUPAC name of 1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium (CID 7391790) is 1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium.
What is the SMILES notation for 1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium?
The canonical SMILES for 1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium is CC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CC[NH+](C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium?
The InChIKey is SQQKYCZIDVAEJG-ZWKOTPCHSA-P. The full InChI is InChI=1S/C19H34N6O/c1-2-18(19-20-21-22-25(19)15-17-9-6-14-26-17)24-12-10-23(11-13-24)16-7-4-3-5-8-16/h16-18H,2-15H2,1H3/p+2/t17-,18+/m0/s1.
What are the key properties of 1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium?
1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium has a molecular weight of 364.54 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium is sourced from PubChem (CID 7391790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).