1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine

C18H32N6O — CID 7391891

IUPAC1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN([C@H](CCCC)c2nnnn2C[C@H]2CCCO2)CC1
InChIInChI=1S/C18H32N6O/c1-3-5-8-17(23-12-10-22(9-4-2)11-13-23)18-19-20-21-24(18)15-16-7-6-14-25-16/h4,16-17H,2-3,5-15H2,1H3/t16-,17-/m1/s1
InChIKeyBGICORVRWRUROY-IAGOWNOFSA-N
MW348.50 g/mol
LogP1.89
Rot. Bonds9

About 1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine

1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine (PubChem CID 7391891) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is 1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine
PubChem CID7391891
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Name1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN([C@H](CCCC)c2nnnn2C[C@H]2CCCO2)CC1
InChIInChI=1S/C18H32N6O/c1-3-5-8-17(23-12-10-22(9-4-2)11-13-23)18-19-20-21-24(18)15-16-7-6-14-25-16/h4,16-17H,2-3,5-15H2,1H3/t16-,17-/m1/s1
InChIKeyBGICORVRWRUROY-IAGOWNOFSA-N
XLogP1.89
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine
CID 7391889
1-cyclohexyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 5011336
1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 3209506
1-(5-chloro-2-methylphenyl)-4-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine
CID 7098056
1-(4-fluorophenyl)-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 7388814
1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
CID 7391874
1-(4-fluorophenyl)-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 23913682
1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
CID 7391894
5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369
1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3209548
1-(2,3-dimethylphenyl)-4-[(1S)-3-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 7388935
1-[(R)-(2-chlorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 1445953

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine?
The IUPAC name of 1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine (CID 7391891) is 1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine?
The canonical SMILES for 1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine is C=CCN1CCN([C@H](CCCC)c2nnnn2C[C@H]2CCCO2)CC1.
What is the InChIKey of 1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine?
The InChIKey is BGICORVRWRUROY-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H32N6O/c1-3-5-8-17(23-12-10-22(9-4-2)11-13-23)18-19-20-21-24(18)15-16-7-6-14-25-16/h4,16-17H,2-3,5-15H2,1H3/t16-,17-/m1/s1.
What are the key properties of 1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine?
1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine has a molecular weight of 348.50 g/mol, XLogP of 1.89, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine is sourced from PubChem (CID 7391891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).