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

C17H34N6O+2 — CID 7391463

IUPAC1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium
SMILESCCC[C@@H](c1nnnn1CCOC)[NH+]1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C17H32N6O/c1-3-6-16(17-18-19-20-23(17)13-14-24-2)22-11-9-21(10-12-22)15-7-4-5-8-15/h15-16H,3-14H2,1-2H3/p+2/t16-/m0/s1
InChIKeyVPWSQSDNZNKJKK-INIZCTEOSA-P
MW338.50 g/mol
LogP-1.11
Rot. Bonds8

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

1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium (PubChem CID 7391463) has the molecular formula C17H34N6O+2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium
PubChem CID7391463
Molecular FormulaC17H34N6O+2
Molecular Weight338.50 g/mol
Exact Mass338.28
IUPAC Name1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium
SMILESCCC[C@@H](c1nnnn1CCOC)[NH+]1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C17H32N6O/c1-3-6-16(17-18-19-20-23(17)13-14-24-2)22-11-9-21(10-12-22)15-7-4-5-8-15/h15-16H,3-14H2,1-2H3/p+2/t16-/m0/s1
InChIKeyVPWSQSDNZNKJKK-INIZCTEOSA-P
XLogP-1.11
TPSA61.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium
CID 7391551
1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]-4-phenylpiperazine-1,4-diium
CID 7388191
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-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-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
CID 7391894
1-(2,3-dimethylphenyl)-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-4-ium
CID 7388167
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-cyclopentylpiperazine-1,4-diium
CID 7224059
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-cyclohexylpiperazine-1,4-diium
CID 7383932
1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine-1,4-diium
CID 7388321

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium?
The IUPAC name of 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium (CID 7391463) is 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium.
What is the SMILES notation for 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium?
The canonical SMILES for 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium is CCC[C@@H](c1nnnn1CCOC)[NH+]1CC[NH+](C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium?
The InChIKey is VPWSQSDNZNKJKK-INIZCTEOSA-P. The full InChI is InChI=1S/C17H32N6O/c1-3-6-16(17-18-19-20-23(17)13-14-24-2)22-11-9-21(10-12-22)15-7-4-5-8-15/h15-16H,3-14H2,1-2H3/p+2/t16-/m0/s1.
What are the key properties of 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium?
1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium has a molecular weight of 338.50 g/mol, XLogP of -1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium is sourced from PubChem (CID 7391463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).