1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium

C17H27ClN6O+2 — CID 7391705

IUPAC1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
SMILESCC[NH+]1CC[NH+]([C@H](c2ccccc2Cl)c2nnnn2CCOC)CC1
InChIInChI=1S/C17H25ClN6O/c1-3-22-8-10-23(11-9-22)16(14-6-4-5-7-15(14)18)17-19-20-21-24(17)12-13-25-2/h4-7,16H,3,8-13H2,1-2H3/p+2/t16-/m1/s1
InChIKeyCRQPFYNGHDRJPM-MRXNPFEDSA-P
MW366.90 g/mol
LogP-1.13
Rot. Bonds7

About 1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium

1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium (PubChem CID 7391705) has the molecular formula C17H27ClN6O+2 and a molecular weight of 366.90 g/mol. Its IUPAC name is 1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
PubChem CID7391705
Molecular FormulaC17H27ClN6O+2
Molecular Weight366.90 g/mol
Exact Mass366.19
IUPAC Name1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
SMILESCC[NH+]1CC[NH+]([C@H](c2ccccc2Cl)c2nnnn2CCOC)CC1
InChIInChI=1S/C17H25ClN6O/c1-3-22-8-10-23(11-9-22)16(14-6-4-5-7-15(14)18)17-19-20-21-24(17)12-13-25-2/h4-7,16H,3,8-13H2,1-2H3/p+2/t16-/m1/s1
InChIKeyCRQPFYNGHDRJPM-MRXNPFEDSA-P
XLogP-1.13
TPSA61.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(R)-(2-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
CID 7396627
4-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
CID 7388462
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7391651
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7391655
1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine-1,4-diium
CID 7391597
1-[(R)-(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-ethylpiperazine-1,4-diium
CID 7396452
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium
CID 7391551
1-[(S)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-propylpiperazine-1,4-diium
CID 7140536
4-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
CID 7140574
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 7391555
1-[(R)-(4-ethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium
CID 7388484
1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7391433

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium?
The IUPAC name of 1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium (CID 7391705) is 1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium.
What is the SMILES notation for 1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium?
The canonical SMILES for 1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium is CC[NH+]1CC[NH+]([C@H](c2ccccc2Cl)c2nnnn2CCOC)CC1.
What is the InChIKey of 1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium?
The InChIKey is CRQPFYNGHDRJPM-MRXNPFEDSA-P. The full InChI is InChI=1S/C17H25ClN6O/c1-3-22-8-10-23(11-9-22)16(14-6-4-5-7-15(14)18)17-19-20-21-24(17)12-13-25-2/h4-7,16H,3,8-13H2,1-2H3/p+2/t16-/m1/s1.
What are the key properties of 1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium?
1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium has a molecular weight of 366.90 g/mol, XLogP of -1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium is sourced from PubChem (CID 7391705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).