4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine

C56H74N14O2 — CID 161027676

IUPAC4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine
SMILESC(=C/c1ccccc1)\CN1CCN([C@@H](c2ccccc2)c2nnnn2CCCN2CCOCC2)CC1.C(=C/c1ccccc1)\CN1CCN([C@H](c2ccccc2)c2nnnn2CCCN2CCOCC2)CC1
InChIInChI=1S/2C28H37N7O/c2*1-3-9-25(10-4-1)11-7-14-32-17-19-34(20-18-32)27(26-12-5-2-6-13-26)28-29-30-31-35(28)16-8-15-33-21-23-36-24-22-33/h2*1-7,9-13,27H,8,14-24H2/b2*11-7+/t2*27-/m10/s1
InChIKeyTZEZVGZLEXBLBY-MWPWJVIFSA-N
MW975.30 g/mol
LogP5.63
Rot. Bonds20

About 4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine

4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine (PubChem CID 161027676) has the molecular formula C56H74N14O2 and a molecular weight of 975.30 g/mol. Its IUPAC name is 4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine
PubChem CID161027676
Molecular FormulaC56H74N14O2
Molecular Weight975.30 g/mol
Exact Mass974.61
IUPAC Name4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine
SMILESC(=C/c1ccccc1)\CN1CCN([C@@H](c2ccccc2)c2nnnn2CCCN2CCOCC2)CC1.C(=C/c1ccccc1)\CN1CCN([C@H](c2ccccc2)c2nnnn2CCCN2CCOCC2)CC1
InChIInChI=1S/2C28H37N7O/c2*1-3-9-25(10-4-1)11-7-14-32-17-19-34(20-18-32)27(26-12-5-2-6-13-26)28-29-30-31-35(28)16-8-15-33-21-23-36-24-22-33/h2*1-7,9-13,27H,8,14-24H2/b2*11-7+/t2*27-/m10/s1
InChIKeyTZEZVGZLEXBLBY-MWPWJVIFSA-N
XLogP5.63
TPSA125.10 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.30
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine with MolForge

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Related Compounds

1-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;1-[(R)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 160503508
1-(3-phenylprop-2-enyl)-4-[(R)-phenyl-[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 91200243
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
CID 6444556
4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
CID 53300936
3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 154929883
1-[(R)-[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]-4-prop-2-enylpiperazine
CID 1448652
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68690019
1-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91551545
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-phenylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68690266
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-pyridin-4-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11641270
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(3-phenoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11692533
1-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(3-phenylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91353882

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine (CID 161027676) is 4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine is C(=C/c1ccccc1)\CN1CCN([C@@H](c2ccccc2)c2nnnn2CCCN2CCOCC2)CC1.C(=C/c1ccccc1)\CN1CCN([C@H](c2ccccc2)c2nnnn2CCCN2CCOCC2)CC1.
What is the InChIKey of 4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine?
The InChIKey is TZEZVGZLEXBLBY-MWPWJVIFSA-N. The full InChI is InChI=1S/2C28H37N7O/c2*1-3-9-25(10-4-1)11-7-14-32-17-19-34(20-18-32)27(26-12-5-2-6-13-26)28-29-30-31-35(28)16-8-15-33-21-23-36-24-22-33/h2*1-7,9-13,27H,8,14-24H2/b2*11-7+/t2*27-/m10/s1.
What are the key properties of 4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine?
4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine has a molecular weight of 975.30 g/mol, XLogP of 5.63, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[(S)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine;4-[3-[5-[(R)-phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]tetrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 161027676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).