1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium

C20H31N6+ — CID 7383550

IUPAC1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium
SMILESCC[C@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H30N6/c1-2-19(20-21-22-23-26(20)18-11-7-4-8-12-18)25-15-13-24(14-16-25)17-9-5-3-6-10-17/h3,5-6,9-10,18-19H,2,4,7-8,11-16H2,1H3/p+1/t19-/m1/s1
InChIKeyOWFBURJIQKUMOF-LJQANCHMSA-O
MW355.51 g/mol
LogP2.03
Rot. Bonds5

About 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium

1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium (PubChem CID 7383550) has the molecular formula C20H31N6+ and a molecular weight of 355.51 g/mol. Its IUPAC name is 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium.

Molecular Properties

Compound Name1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium
PubChem CID7383550
Molecular FormulaC20H31N6+
Molecular Weight355.51 g/mol
Exact Mass355.26
IUPAC Name1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium
SMILESCC[C@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H30N6/c1-2-19(20-21-22-23-26(20)18-11-7-4-8-12-18)25-15-13-24(14-16-25)17-9-5-3-6-10-17/h3,5-6,9-10,18-19H,2,4,7-8,11-16H2,1H3/p+1/t19-/m1/s1
InChIKeyOWFBURJIQKUMOF-LJQANCHMSA-O
XLogP2.03
TPSA51.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium
CID 7383704
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383579
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-nitrophenyl)piperazin-1-ium
CID 7383565
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383798
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383783
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 6985994
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium
CID 7224059
1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium
CID 7140529
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-4-ium-1-yl]phenol
CID 7140482
1-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382838

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium?
The IUPAC name of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium (CID 7383550) is 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium.
What is the SMILES notation for 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium?
The canonical SMILES for 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium is CC[C@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium?
The InChIKey is OWFBURJIQKUMOF-LJQANCHMSA-O. The full InChI is InChI=1S/C20H30N6/c1-2-19(20-21-22-23-26(20)18-11-7-4-8-12-18)25-15-13-24(14-16-25)17-9-5-3-6-10-17/h3,5-6,9-10,18-19H,2,4,7-8,11-16H2,1H3/p+1/t19-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium?
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium has a molecular weight of 355.51 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium is sourced from PubChem (CID 7383550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).