1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium

C20H32N6O+2 — CID 7391551

IUPAC1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium
SMILESCOCCn1nnnc1[C@@H](c1ccccc1)[NH+]1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C20H30N6O/c1-27-16-15-26-20(21-22-23-26)19(17-7-3-2-4-8-17)25-13-11-24(12-14-25)18-9-5-6-10-18/h2-4,7-8,18-19H,5-6,9-16H2,1H3/p+2/t19-/m1/s1
InChIKeyNJDMGFHLBHKOCN-LJQANCHMSA-P
MW372.52 g/mol
LogP-0.87
Rot. Bonds7

About 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium

1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium (PubChem CID 7391551) has the molecular formula C20H32N6O+2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium
PubChem CID7391551
Molecular FormulaC20H32N6O+2
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium
SMILESCOCCn1nnnc1[C@@H](c1ccccc1)[NH+]1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C20H30N6O/c1-27-16-15-26-20(21-22-23-26)19(17-7-3-2-4-8-17)25-13-11-24(12-14-25)18-9-5-6-10-18/h2-4,7-8,18-19H,5-6,9-16H2,1H3/p+2/t19-/m1/s1
InChIKeyNJDMGFHLBHKOCN-LJQANCHMSA-P
XLogP-0.87
TPSA61.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7391651
1-cyclopentyl-4-[(S)-(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7391665
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 7391555
1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7397408
1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7205379
1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium
CID 7391463
1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7388386
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(3-methoxyphenyl)piperazin-1-ium
CID 7388353
1-[(R)-(4-ethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium
CID 7388484
1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
CID 7391705
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7391655
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-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium?
The IUPAC name of 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium (CID 7391551) is 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium.
What is the SMILES notation for 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium?
The canonical SMILES for 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium is COCCn1nnnc1[C@@H](c1ccccc1)[NH+]1CC[NH+](C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium?
The InChIKey is NJDMGFHLBHKOCN-LJQANCHMSA-P. The full InChI is InChI=1S/C20H30N6O/c1-27-16-15-26-20(21-22-23-26)19(17-7-3-2-4-8-17)25-13-11-24(12-14-25)18-9-5-6-10-18/h2-4,7-8,18-19H,5-6,9-16H2,1H3/p+2/t19-/m1/s1.
What are the key properties of 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium?
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium has a molecular weight of 372.52 g/mol, XLogP of -0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium is sourced from PubChem (CID 7391551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).