1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium

C19H36N6+2 — CID 7224059

IUPAC1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium
SMILESCC[C@H](c1nnnn1C1CCCCC1)[NH+]1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C19H34N6/c1-2-18(19-20-21-22-25(19)17-10-4-3-5-11-17)24-14-12-23(13-15-24)16-8-6-7-9-16/h16-18H,2-15H2,1H3/p+2/t18-/m1/s1
InChIKeyZRSBGCKVXBWYKF-GOSISDBHSA-P
MW348.54 g/mol
LogP0.36
Rot. Bonds5

About 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium

1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium (PubChem CID 7224059) has the molecular formula C19H36N6+2 and a molecular weight of 348.54 g/mol. Its IUPAC name is 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium
PubChem CID7224059
Molecular FormulaC19H36N6+2
Molecular Weight348.54 g/mol
Exact Mass348.30
IUPAC Name1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium
SMILESCC[C@H](c1nnnn1C1CCCCC1)[NH+]1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C19H34N6/c1-2-18(19-20-21-22-25(19)17-10-4-3-5-11-17)24-14-12-23(13-15-24)16-8-6-7-9-16/h16-18H,2-15H2,1H3/p+2/t18-/m1/s1
InChIKeyZRSBGCKVXBWYKF-GOSISDBHSA-P
XLogP0.36
TPSA52.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium
CID 7383587
1-cyclohexyl-4-[(1R)-1-(1-cyclopentyltetrazol-5-yl)butyl]piperazine-1,4-diium
CID 7383721
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium
CID 7383932
1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7391790
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium
CID 7383550
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 7383860
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7383880
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-prop-2-enylpiperazine-1,4-diium
CID 7383802
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium
CID 7383704
1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium
CID 7391463
5-(1-chlorobutyl)-1-cyclohexyltetrazole
CID 89395853
1-(1-cyclohexyltetrazol-5-yl)butan-1-ol
CID 121220708

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium?
The IUPAC name of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium (CID 7224059) is 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium.
What is the SMILES notation for 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium?
The canonical SMILES for 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium is CC[C@H](c1nnnn1C1CCCCC1)[NH+]1CC[NH+](C2CCCC2)CC1.
What is the InChIKey of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium?
The InChIKey is ZRSBGCKVXBWYKF-GOSISDBHSA-P. The full InChI is InChI=1S/C19H34N6/c1-2-18(19-20-21-22-25(19)17-10-4-3-5-11-17)24-14-12-23(13-15-24)16-8-6-7-9-16/h16-18H,2-15H2,1H3/p+2/t18-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium?
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium has a molecular weight of 348.54 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium is sourced from PubChem (CID 7224059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).